Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #1 based on HCP stacking sequence ABAB. Has the bonding topology of
observed HT-C2/c pyroxenes.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002996
7.3936910 6 3.4641016 90 117.9383 90 C2/c
atom x y z
Mg1 0 11/12 1/4
Mg2 0 .25 1/4
Si 5/16 1/12 19/48
O1 1/8 1/12 5/24
O2 3/8 .25 7/24
O3 3/8 11/12 7/24
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #2 based on stacking sequence ABAC. Ideal analogue of protopyroxene,
high-P protopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002997
6.5319726 6 3.4641016 90 90 90 *P2_1cn
0 .25 0
atom x y z
Mg1 0 1/12 2/3
Mg2 0 .25 1/6
SiA 11/16 11/12 5/6
SiB 5/16 1/12 0
O1A 7/8 11/12 5/6
O1B 1/8 1/12 0
O2A 5/8 3/4 0
O2B 3/8 .25 1/6
O3A 5/8 11/12 1/2
O3B 3/8 11/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #3a based on stacking sequence ABABCACABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002998
6.6332495 6 3.4641016 90 100.0250 90 P2/c
atom x y z
SiA 11/16 7/12 5/16
SiB 13/16 11/12 1/48
Mg1a 0 7/12 3/4
Mg2a 0 .25 3/4
Mg1b 1/2 1/12 3/4
Mg2b 1/2 3/4 3/4
O1A 7/8 7/12 3/8
O2A 5/8 3/4 11/24
O3A 5/8 5/12 11/24
O1B 5/8 1/12 11/24
O2B 7/8 .25 3/8
O3B 7/8 11/12 3/8
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #3b based on stacking sequence ABABCACABCBC. Ideal analogue of low
clinopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002999
6.9282032 6 3.4641016 90 109.4712 90 P2_1/c
atom x y z
SiA 1/16 1/3 3/8
SiB 9/16 5/6 5/24
Mg1 .25 2/3 1/6
Mg2 .25 0 1/6
O1A 7/8 1/3 1/4
O1B 3/8 5/6 1/12
O2A 1/8 1/2 1/4
O2B 5/8 0 5/12
O3A 1/8 1/3 3/4
O3B 5/8 2/3 5/12
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #4 based on CCP stacking sequence ABCABCABCABC. Ideal analogue of HP-C2/c
pyroxene and eight-coordinaSiEd Mg2-C2/c pyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003000
6.6332495 6.0 3.4641016 90 100.0250 90 C2/c
atom x y z
Si 5/16 1/12 3/16
Mg1 0 11/12 1/4
Mg2 0 .25 1/4
O1 1/8 1/12 1/8
O2 3/8 .25 3/8
O3 3/8 1/12 7/8
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #5 based on stacking sequence ABABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003001
13.063945 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 31/32 11/12 1/6
SiB 29/32 5/12 0
Mg1a 13/16 1/12 1/3
Mg2a 13/16 3/4 1/3
SiC 23/32 7/12 5/6
SiD 21/32 11/12 1/2
Mg1b 9/16 7/12 1/6
Mg2b 9/16 .25 1/6
SiE 13/32 7/12 1/2
SiF 15/32 1/12 1/3
Mg1c 5/16 1/12 2/3
Mg2c 5/16 3/4 2/3
SiG 5/32 1/12 0
SiH 7/32 5/12 1/3
Mg1d 1/16 5/12 2/3
Mg2d 1/16 .25 1/6
O1A 7/8 11/12 1/6
O2A 0 3/4 0
O3A 0 1/12 0
O1B 0 5/12 0
O2B 7/8 7/12 1/6
O3B 7/8 3/4 2/3
O1C 5/8 5/12 1/3
O2C 3/4 3/4 0
O3C 3/4 5/12 0
O1D 3/4 1/12 0
O2D 5/8 3/4 1/3
O3D 5/8 1/12 1/3
O1E 1/2 5/12 0
O2E 3/8 3/4 1/3
O3E 3/8 5/12 1/3
O1F 3/8 1/12 1/3
O2F 1/2 3/4 0
O3F 1/2 1/12 0
O1G .25 1/12 0
O2G 1/8 3/4 1/3
O3G 1/8 1/12 1/3
O1H 1/8 5/12 1/3
O2H .25 .25 1/2
O3H .25 5/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #6 based on stacking sequence ABABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003002
13.063945 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 31/32 11/12 1/6
SiB 29/32 5/12 0
Mg1a 13/16 1/12 0
Mg2a 13/16 3/4 0
SiC 23/32 5/12 2/3
SiD 21/32 1/12 1/3
Mg1b 9/16 5/12 1/3
Mg2b 9/16 3/4 1/3
SiE 13/32 7/12 1/2
SiF 15/32 1/12 1/3
Mg1c 5/16 1/12 2/3
Mg2c 5/16 3/4 2/3
SiG 5/32 1/12 0
SiH 7/32 5/12 1/3
Mg1d 1/16 5/12 2/3
Mg2d 1/16 .25 1/6
O1A 7/8 11/12 1/6
O2A 0 3/4 0
O3A 0 1/12 0
O1B 0 5/12 0
O2B 7/8 7/12 1/6
O3B 7/8 3/4 2/3
O1C 5/8 5/12 2/3
O2C 3/4 .25 5/6
O3C 3/4 5/12 1/3
O1D 3/4 1/12 1/3
O2D 5/8 .25 1/6
O3D 5/8 11/12 1/6
O1E 1/2 5/12 0
O2E 3/8 3/4 1/3
O3E 3/8 5/12 1/3
O1F 3/8 1/12 1/3
O2F 1/2 3/4 0
O3F 1/2 1/12 0
O1G .25 1/12 0
O2G 1/8 3/4 1/3
O3G 1/8 1/12 1/3
O1H 1/8 5/12 1/3
O2H .25 .25 1/2
O3H .25 5/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #7 based on stacking sequence ABABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003003
13.063945 6 3.4641016 90 90 90 P2_1ca
atom x y z
SiA 31/32 11/12 11/12
SiB 29/32 5/12 3/4
Mg1a 5/16 1/12 5/12
Mg2a 5/16 3/4 5/12
SiC 5/32 1/12 3/4
SiD 7/32 5/12 1/12
Mg1b 1/16 5/12 5/12
Mg2b 1/16 .25 11/12
O1A 7/8 11/12 11/12
O2A 0 3/4 3/4
O3A 0 1/12 3/4
O1B 0 5/12 3/4
O2B 7/8 7/12 11/12
O3B 7/8 3/4 5/12
O1C .25 1/12 3/4
O2C 1/8 3/4 1/12
O3C 1/8 1/12 1/12
O1D 1/8 5/12 1/12
O2D .25 .25 1/4
O3D .25 5/12 3/4
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #8a based on stacking sequence ABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003004
13.063945 6 3.4641016 90 90. 90 P2/c
atom x y z
SiA 29/32 11/12 1/12
SiB 27/32 5/12 11/12
SiC 13/32 11/12 3/4
SiD 11/32 7/12 1/12
Mg1a 0 5/12 1/4
Mg2a 0 .25 3/4
Mg1b .25 11/12 1/12
Mg2b .25 .25 1/12
Mg1c 1/2 7/12 3/4
Mg2c 1/2 .25 3/4
O1A 13/16 11/12 1/12
O2A 15/16 3/4 11/12
O3A 15/16 1/12 11/12
O1B 15/16 5/12 11/12
O2B 13/16 .25 1/12
O3B 13/16 7/12 1/12
O1C 5/16 11/12 3/4
O2C 7/16 3/4 7/12
O3C 7/16 11/12 1/12
O1D 7/16 7/12 1/12
O2D 5/16 3/4 1/4
O3D 5/16 7/12 3/4
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #8b based on stacking sequence ABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003005
13.063945 6 3.4641016 90 90. 90 P2_1/c
atom x y z
SiA 31/32 1/6 1/3
Mg1a 7/8 2/3 1/2
Mg2a 7/8 0 1/2
SiB 9/32 1/3 1/6
SiC 7/32 2/3 1/2
SiD 15/32 1/3 1/6
Mg1b 3/8 2/3 1/6
Mg2b 3/8 0 1/6
O1A 1/16 1/6 1/3
O2A 15/16 0 1/6
O3A 15/16 1/3 1/6
O1B 3/16 1/3 1/6
O2B 5/16 1/2 0
O3B 5/16 1/3 1/2
O1C 5/16 2/3 1/2
O2C 3/16 1/2 2/3
O3C 3/16 2/3 1/6
O1D 9/16 1/3 1/6
O2D 7/16 1/2 1/3
O3D 7/16 1/6 1/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #9a based on stacking sequence ABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003006
13.063948 6 3.4641016 90 90. 90 P2/c
atom x y z
SiA 29/32 11/12 1/12
SiB 27/32 5/12 11/12
SiC 13/32 11/12 3/4
SiD 11/32 7/12 5/12
Mg1a 0 5/12 1/4
Mg2a 0 .25 3/4
Mg1b .25 11/12 1/12
Mg2b .25 .25 1/12
Mg1c 1/2 7/12 3/4
Mg2c 1/2 .25 3/4
O1A 13/16 11/12 1/12
O2A 15/16 3/4 11/12
O3A 15/16 1/12 11/12
O1B 15/16 5/12 11/12
O2B 13/16 .25 1/12
O3B 13/16 7/12 1/12
O1C 5/16 11/12 3/4
O2C 7/16 3/4 11/12
O3C 7/16 1/12 11/12
O1D 7/16 7/12 5/12
O2D 5/16 3/4 1/4
O3D 5/16 7/12 3/4
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #9b based on stacking sequence ABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003007
13.063945 6 3.4641016 90 90. 90 P2_1/c
atom x y z
SiA 31/32 1/6 1/3
Mg1a 7/8 2/3 1/2
Mg2a 7/8 0 1/2
SiB 9/32 1/3 1/6
SiC 7/32 2/3 1/2
SiD 15/32 1/6 1/3
Mg1b 3/8 2/3 5/6
Mg2b 3/8 0 5/6
O1A 1/16 1/6 1/3
O2A 15/16 0 1/6
O3A 15/16 1/3 1/6
O1B 3/16 1/3 1/6
O2B 5/16 1/2 0
O3B 5/16 1/3 1/2
O1C 5/16 2/3 1/2
O2C 3/16 1/2 2/3
O3C 3/16 2/3 1/6
O1D 9/16 1/6 1/3
O2D 7/16 0 1/6
O3D 7/16 1/3 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #10 based on stacking sequence ABACBABC. Ideal analogue to orthopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003008
13.063945 6 3.4641016 90 90 90 *P2_1ca
0 .25 0
atom x y z
SiA 9/32 1/6 7/12
SiB 7/32 2/3 5/12
Mg1a 1/8 1/3 5/12
Mg2a 1/8 0 5/12
SiC 15/32 1/6 1/4
SiD 17/32 5/6 7/12
Mg1b 7/8 2/3 3/4
Mg2b 7/8 1/2 1/4
O1A 3/16 1/6 7/12
O2A 5/16 0 5/12
O3A 5/16 1/3 5/12
O1B 5/16 2/3 5/12
O2B 3/16 1/2 7/12
O3B 3/16 5/6 7/12
O1C 9/16 1/6 1/4
O2C 7/16 0 1/12
O3C 7/16 1/6 7/12
O1D 7/16 5/6 7/12
O2D 9/16 0 3/4
O3D 9/16 5/6 1/4
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #11a based on stacking sequence ABABABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003009
19.595917 6 3.4641016 90 90. 90 P2/c
atom x y z
SiA 1/16 7/12 5/12
SiB 5/48 1/12 7/12
SiC 11/48 1/12 11/12
SiD 13/48 5/12 7/12
SiE 19/48 5/12 7/12
SiF 7/16 1/12 1/4
Mg1a 0 1/12 1/4
Mg2a 0 .25 3/4
Mg1b 1/6 5/12 1/4
Mg2b 1/6 .25 3/4
Mg1c 1/3 1/12 7/12
Mg2c 1/3 .25 1/12
Mg1d 1/2 5/12 1/4
Mg2d 1/2 .25 3/4
O1A 1/8 7/12 5/12
O2A 1/24 3/4 7/12
O3A 1/24 5/12 7/12
O1B 1/24 1/12 7/12
O2B 1/8 .25 5/12
O3B 1/8 1/12 11/12
O1C 7/24 1/12 11/12
O2C 5/24 .25 1/12
O3C 5/24 1/12 7/12
O1D 5/24 5/12 7/12
O2D 7/24 .25 5/12
O3D 7/24 7/12 5/12
O1E 11/24 5/12 7/12
O2E 3/8 .25 3/4
O3E 3/8 7/12 3/4
O1F 3/8 1/12 1/4
O2F 11/24 .25 1/12
O3F 11/24 1/12 7/12
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #11b based on stacking sequence ABABABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003010
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom x y z
Mg1a 1/12 2/3 1/2
Mg2a 1/12 1/2 0
Mg1b .25 1/3 1/2
Mg2b .25 1/2 0
Mg1c 5/12 5/6 2/3
Mg2c 5/12 1/2 2/3
SiA 7/48 1/6 1/3
SiB 3/16 5/6 2/3
SiC 5/16 2/3 1/2
SiD 17/48 1/3 1/6
SiE 23/48 1/6 2/3
SiF 1/48 1/6 2/3
O1A 5/24 1/6 1/3
O2A 1/8 0 1/6
O3A 1/8 1/6 2/3
O1B 1/8 5/6 2/3
O2B 5/24 0 5/6
O3B 5/24 5/6 1/3
O1C 3/8 2/3 1/2
O2C 7/24 1/2 2/3
O3C 7/24 5/6 2/3
O1D 7/24 1/3 1/6
O2D 3/8 1/2 0
O3D 3/8 1/6 0
O1E 13/24 1/6 2/3
O2E 11/24 0 5/6
O3E 11/24 1/6 1/3
O1F 23/24 1/6 2/3
O2F 1/24 0 5/6
O3F 1/24 1/6 1/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #12a based on stacking sequence ABABABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003011
19.595917 6 3.4641016 90 90. 90 P2/c
atom x y z
SiA 1/16 7/12 5/12
SiB 5/48 1/12 7/12
SiC 11/48 1/12 11/12
SiD 13/48 5/12 7/12
SiE 19/48 7/12 5/12
SiF 7/16 1/12 1/4
Mg1a 0 1/12 1/4
Mg2a 0 .25 3/4
Mg1b 1/6 5/12 1/4
Mg2b 1/6 .25 3/4
Mg1c 1/3 1/12 7/12
Mg2c 1/3 .25 1/12
Mg1d 1/2 5/12 1/4
Mg2d 1/2 .25 3/4
O1A 1/8 7/12 5/12
O2A 1/24 3/4 7/12
O3A 1/24 5/12 7/12
O1B 1/24 1/12 7/12
O2B 1/8 .25 5/12
O3B 1/8 1/12 11/12
O1C 7/24 1/12 11/12
O2C 5/24 .25 1/12
O3C 5/24 1/12 7/12
O1D 5/24 5/12 7/12
O2D 7/24 .25 5/12
O3D 7/24 7/12 5/12
O1E 11/24 7/12 5/12
O2E 3/8 .25 3/4
O3E 3/8 7/12 3/4
O1F 3/8 1/12 1/4
O2F 11/24 .25 5/12
O3F 11/24 11/12 5/12
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #12b based on stacking sequence ABABABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003012
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom x y z
Mg1a 1/12 2/3 1/2
Mg2a 1/12 1/2 0
Mg1b .25 1/3 1/2
Mg2b .25 1/2 0
Mg1c 5/12 2/3 5/6
Mg2c 5/12 1/2 1/3
SiA 7/48 1/6 1/3
SiB 3/16 5/6 2/3
SiC 5/16 2/3 1/2
SiD 17/48 1/3 1/6
SiE 23/48 1/6 1/3
SiF 1/48 1/6 2/3
O1A 5/24 1/6 1/3
O2A 1/8 0 1/6
O3A 1/8 1/6 2/3
O1B 1/8 5/6 2/3
O2B 5/24 0 5/6
O3B 5/24 5/6 1/3
O1C 3/8 2/3 1/2
O2C 7/24 1/2 2/3
O3C 7/24 5/6 2/3
O1D 7/24 1/3 1/6
O2D 3/8 1/2 0
O3D 3/8 1/6 0
O1E 13/24 1/6 1/3
O2E 11/24 0 1/6
O3E 11/24 1/6 2/3
O1F 23/24 1/6 2/3
O2F 1/24 0 5/6
O3F 1/24 1/6 1/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #13 based on stacking sequence ABABABACACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003013
19.595917 6 3.4641016 90 90 90 P2_1cn
atom x y z
SiA 1/48 2/3 1/3
SiB 1/16 1/3 0
SiC 3/16 1/6 5/6
SiD 11/48 2/3 0
SiE 17/48 2/3 1/3
SiF 19/48 1/3 0
Mg1a 1/8 2/3 2/3
Mg2a 1/8 0 2/3
Mg1b 7/24 1/3 2/3
Mg2b 7/24 0 2/3
Mg1c 11/24 2/3 2/3
Mg2c 11/24 0 2/3
O1A 1/12 2/3 1/3
O2A 0 1/2 1/2
O3A 0 5/6 1/2
O1B 0 1/3 0
O2B 1/12 0 1/3
O3B 1/12 1/3 1/3
O1C .25 1/6 5/6
O2C 1/6 0 0
O3C 1/6 1/3 0
O1D 1/6 2/3 0
O2D .25 0 1/3
O3D .25 2/3 1/3
O1E 5/12 2/3 1/3
O2E 1/3 0 0
O3E 1/3 2/3 0
O1F 1/3 1/3 0
O2F 5/12 0 1/3
O3F 5/12 1/3 1/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #14a based on stacking sequence ABABABCABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003014
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom x y z
SiA 7/48 5/6 2/3
SiB 3/16 1/6 1/3
SiC 5/16 1/6 1/3
SiD 17/48 5/6 0
SiE 25/48 1/3 1/6
SiF 1/48 5/6 1/3
Mg1a 1/12 1/6 0
Mg2a 1/12 0 1/2
Mg1b .25 2/3 5/6
Mg2b .25 1/2 1/3
Mg1c 5/12 1/6 0
Mg2c 5/12 0 1/2
O1A 5/24 5/6 2/3
O2A 1/8 0 5/6
O3A 1/8 5/6 1/3
O1B 1/8 1/6 1/3
O2B 5/24 0 1/6
O3B 5/24 1/6 2/3
O1C 3/8 1/6 1/3
O2C 7/24 0 1/2
O3C 7/24 1/6 0
O1D 7/24 5/6 0
O2D 3/8 0 5/6
O3D 3/8 5/6 1/3
O1E 11/24 1/3 1/6
O2E 13/24 0 5/6
O3E 13/24 1/6 1/3
O1F 23/24 5/6 1/3
O2F 1/24 0 1/6
O3F 1/24 5/6 2/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #14b based on stacking sequence ABABABCABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003015
19.595917 6 3.4641016 90 90. 90 P2/c
atom x y z
SiA 1/16 7/12 1/12
SiB 5/48 1/12 11/12
SiC 11/48 1/12 1/4
SiD 13/48 7/12 5/12
SiE 19/48 7/12 5/12
SiF 7/16 1/12 7/12
Mg1a 0 1/12 1/4
Mg2a 0 .25 3/4
Mg1b 1/6 5/12 1/4
Mg2b 1/6 .25 3/4
Mg1c 1/3 1/12 11/12
Mg2c 1/3 .25 5/12
Mg1d 1/2 5/12 1/4
Mg2d 1/2 .25 3/4
O1A 1/8 7/12 1/12
O2A 1/24 .25 5/12
O3A 1/24 7/12 5/12
O1B 1/24 1/12 11/12
O2B 1/8 .25 1/12
O3B 1/8 1/12 7/12
O1C 7/24 1/12 1/4
O2C 5/24 .25 5/12
O3C 5/24 1/12 11/12
O1D 5/24 7/12 5/12
O2D 7/24 3/4 1/4
O3D 7/24 5/12 1/4
O1E 11/24 7/12 5/12
O2E 3/8 .25 1/12
O3E 3/8 7/12 1/12
O1F 3/8 1/12 7/12
O2F 11/24 .25 5/12
O3F 11/24 1/12 11/12
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #15a based on stacking sequence ABABABCBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003016
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom x y z
SiA 1/48 5/6 1/3
Mg1a 1/12 1/6 0
Mg2a 1/12 0 1/2
SiB 7/48 2/3 1/6
SiC 3/16 1/6 1/3
Mg1b .25 2/3 5/6
Mg2b .25 0 5/6
SiD 5/16 1/3 1/6
SiE 17/48 5/6 0
Mg1c 5/12 1/6 0
Mg2c 5/12 0 1/2
SiF 23/48 2/3 1/6
O1A 23/24 5/6 1/3
O2A 1/24 0 1/6
O3A 1/24 5/6 2/3
O1B 5/24 2/3 1/6
O2B 1/8 0 5/6
O3B 1/8 5/6 1/3
O1C 1/8 1/6 1/3
O2C 5/24 0 1/6
O3C 5/24 1/3 1/6
O1D 3/8 1/3 1/6
O2D 7/24 0 1/2
O3D 7/24 1/6 0
O1E 7/24 5/6 0
O2E 3/8 0 1/6
O3E 3/8 2/3 1/6
O1F 13/24 2/3 1/6
O2F 11/24 0 5/6
O3F 11/24 5/6 1/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #15b based on stacking sequence ABABABCBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003017
19.595917 6 3.4641016 90 90. 90 P2/c
atom x y z
SiA 1/16 7/12 1/12
SiB 5/48 1/12 11/12
Mg1a 1/6 5/12 1/4
Mg2a 1/6 .25 3/4
SiC 11/48 1/12 1/4
SiD 13/48 7/12 5/12
Mg1b 1/3 1/12 7/12
Mg2b 1/3 .25 1/12
SiE 19/48 7/12 1/12
SiF 7/16 1/12 11/12
Mg1c 1/2 5/12 1/4
Mg2c 1/2 .25 3/4
Mg1d 0 1/12 1/4
Mg2d 0 .25 3/4
O1A 1/8 7/12 1/12
O2A 1/24 .25 5/12
O3A 1/24 7/12 5/12
O1B 1/24 1/12 11/12
O2B 1/8 .25 1/12
O3B 1/8 1/12 7/12
O1C 7/24 1/12 1/4
O2C 5/24 .25 5/12
O3C 5/24 1/12 11/12
O1D 5/24 7/12 5/12
O2D 7/24 .25 3/4
O3D 7/24 5/12 1/4
O1E 11/24 7/12 1/12
O2E 3/8 .25 5/12
O3E 3/8 7/12 5/12
O1F 3/8 1/12 11/12
O2F 11/24 .25 1/12
O3F 11/24 1/12 7/12
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #16 based on stacking sequence ABABACABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003018
19.899748 6 3.4641016 90 100.024987862 90 Cc
atom x y z
SiA 1/48 5/12 17/48
SiB 1/16 1/12 1/16
Mg1a 1/8 5/12 19/24
Mg2a 1/8 .25 7/24
SiC 3/16 1/12 25/48
SiD 11/48 5/12 11/48
Mg1b 7/24 1/12 23/24
Mg2b 7/24 .25 11/24
SiE 17/48 7/12 25/48
SiF 19/48 1/12 19/48
Mg1c 11/24 5/12 19/24
Mg2c 11/24 .25 7/24
O1A 1/12 5/12 5/12
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 11/12
O3B 1/12 1/12 5/12
O1C .25 1/12 7/12
O2C 1/6 .25 2/3
O3C 1/6 1/12 1/6
O1D 1/6 5/12 1/6
O2D .25 3/4 7/12
O3D .25 5/12 7/12
O1E 5/12 7/12 7/12
O2E 1/3 3/4 1/3
O3E 1/3 5/12 1/3
O1F 1/3 1/12 1/3
O2F 5/12 .25 7/12
O3F 5/12 1/12 1/12
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #17a based on stacking sequence ABABACACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003019
19.595917 6 3.4641016 90 90. 90 P2/c
atom x y z
Mg1a 0 5/12 1/4
Mg2a 0 .25 3/4
SiA 1/16 1/12 7/12
SiB 5/48 7/12 5/12
Mg1b 1/6 1/12 11/12
Mg2b 1/6 .25 5/12
SiC 11/48 7/12 1/12
SiD 13/48 1/12 1/4
Mg1c 1/3 5/12 11/12
Mg2c 1/3 .25 5/12
SiE 19/48 1/12 7/12
SiF 7/16 5/12 1/4
Mg1d 1/2 1/12 1/4
Mg2d 1/2 .25 3/4
O1A 1/8 1/12 7/12
O2A 1/24 .25 5/12
O3A 1/24 1/12 11/12
O1B 1/24 7/12 5/12
O2B 1/8 .25 1/12
O3B 1/8 7/12 1/12
O1C 7/24 7/12 1/12
O2C 5/24 3/4 1/4
O3C 5/24 5/12 1/4
O1D 5/24 1/12 1/4
O2D 7/24 .25 1/12
O3D 7/24 1/12 7/12
O1E 11/24 1/12 7/12
O2E 3/8 .25 3/4
O3E 3/8 1/12 1/4
O1F 3/8 5/12 1/4
O2F 11/24 .25 1/12
O3F 11/24 7/12 1/12
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #17b based on stacking sequence ABABACACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003020
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom x y z
SiA 1/48 2/3 1/3
Mg1a 1/12 1/6 1/2
Mg2a 1/12 0 0
SiB 7/48 2/3 0
SiC 3/16 1/3 1/3
Mg1b .25 2/3 2/3
Mg2b .25 0 2/3
SiD 5/16 1/3 0
SiE 17/48 2/3 1/3
Mg1c 5/12 1/6 1/6
Mg2c 5/12 0 2/3
SiF 23/48 5/6 1/6
O1A 23/24 2/3 1/3
O2A 1/24 0 2/3
O3A 1/24 2/3 2/3
O1B 5/24 2/3 0
O2B 1/8 0 1/3
O3B 1/8 2/3 1/3
O1C 1/8 1/3 1/3
O2C 5/24 0 0
O3C 5/24 1/3 0
O1D 3/8 1/3 0
O2D 7/24 0 1/3
O3D 7/24 1/3 1/3
O1E 7/24 2/3 1/3
O2E 3/8 0 0
O3E 3/8 2/3 0
O1F 13/24 5/6 1/6
O2F 11/24 0 1/3
O3F 11/24 2/3 1/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #18 based on stacking sequence ABABACBABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003021
19.595917 6 3.4641016 90 90 90 P2_1cn
atom x y z
SiA 1/16 1/6 1/3
SiB 1/48 2/3 1/6
Mg1a 1/8 2/3 1/2
Mg2a 1/8 0 1/2
SiC 3/16 1/3 1/6
SiD 11/48 5/6 1/3
Mg1b 7/24 1/6 0
Mg2b 7/24 0 1/2
SiE 17/48 5/6 0
SiF 19/48 1/6 1/3
Mg1c 11/24 2/3 5/6
Mg2c 11/24 0 5/6
O1A 0 1/6 1/3
O2A 1/12 0 1/6
O3A 1/12 1/3 1/6
O1B 1/12 2/3 1/6
O2B 0 0 5/6
O3B 0 2/3 5/6
O1C .25 1/3 1/6
O2C 1/6 1/2 1/3
O3C 1/6 1/6 1/3
O1D 1/6 5/6 1/3
O2D .25 0 1/6
O3D .25 2/3 1/6
O1E 5/12 5/6 0
O2E 1/3 0 5/6
O3E 1/3 2/3 5/6
O1F 1/3 1/6 1/3
O2F 5/12 0 1/2
O3F 5/12 1/6 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #19a based on stacking sequence ABABCABCBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003022
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom x y z
SiA 1/48 1/3 1/3
Mg1a 1/12 2/3 1/3
Mg2a 1/12 1/2 5/6
SiB 7/48 1/3 1/3
SiC 3/16 2/3 0
Mg1b .25 1/6 1/6
Mg2b .25 0 2/3
SiD 5/16 2/3 1/3
SiE 17/48 1/3 0
Mg1c 5/12 2/3 0
Mg2c 5/12 0 0
SiF 23/48 1/3 1/3
O1A 23/24 1/3 1/3
O2A 1/24 0 2/3
O3A 1/24 1/3 2/3
O1B 5/24 1/3 1/3
O2B 1/8 0 0
O3B 1/8 1/6 1/2
O1C 1/8 2/3 0
O2C 5/24 0 1/3
O3C 5/24 2/3 1/3
O1D 3/8 2/3 1/3
O2D 7/24 0 0
O3D 7/24 2/3 0
O1E 7/24 1/3 0
O2E 3/8 0 1/3
O3E 3/8 1/3 1/3
O1F 13/24 1/3 1/3
O2F 11/24 0 2/3
O3F 11/24 1/3 2/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #19b based on stacking sequence ABABCABCBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003023
19.595917 6 3.4641016 90 90. 90 P2/c
atom x y z
Mg1a 0 5/12 1/4
Mg2a 0 .25 3/4
SiA 1/16 1/12 1/4
SiB 5/48 5/12 11/12
Mg1b 1/6 1/12 11/12
Mg2b 1/6 .25 5/12
SiC 11/48 5/12 1/4
SiD 13/48 1/12 7/12
Mg1c 1/3 5/12 11/12
Mg2c 1/3 .25 5/12
SiE 19/48 1/12 11/12
SiF 7/16 7/12 1/12
Mg1d 1/2 1/12 1/4
Mg2d 1/2 .25 3/4
O1A 1/8 1/12 1/4
O2A 1/24 .25 5/12
O3A 1/24 1/12 11/12
O1B 1/24 7/12 5/12
O2B 1/8 3/4 1/4
O3B 1/8 7/12 3/4
O1C 7/24 5/12 1/4
O2C 5/24 .25 1/12
O3C 5/24 7/12 1/12
O1D 5/24 1/12 7/12
O2D 7/24 .25 3/4
O3D 7/24 1/12 1/4
O1E 11/24 1/12 11/12
O2E 3/8 .25 1/12
O3E 3/8 1/12 7/12
O1F 3/8 7/12 1/12
O2F 11/24 .25 5/12
O3F 11/24 7/12 5/12
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #20a based on stacking sequence ABABCACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003024
19.595917 6 3.4641016 90 90. 90 P2/c
atom x y z
Mg1a 0 5/12 1/4
Mg2a 0 .25 3/4
SiA 1/16 1/12 11/12
SiB 5/48 7/12 1/12
Mg1b 1/6 1/12 7/12
Mg2b 1/6 .25 1/12
SiC 11/48 7/12 1/12
SiD 13/48 1/12 1/4
Mg1c 1/3 5/12 11/12
Mg2c 1/3 .25 5/12
SiE 7/16 5/12 1/4
SiF 19/48 1/12 11/12
Mg1d 1/2 1/12 1/4
Mg2d 1/2 .25 3/4
O1A 1/8 1/12 11/12
O2A 1/24 .25 1/12
O3A 1/24 1/12 7/12
O1B 1/24 7/12 1/12
O2B 1/8 .25 5/12
O3B 1/8 7/12 5/12
O1C 7/24 7/12 1/12
O2C 5/24 3/4 1/4
O3C 5/24 5/12 1/4
O1D 5/24 1/12 1/4
O2D 7/24 .25 1/12
O3D 7/24 1/12 7/12
O1E 5/8 5/12 1/4
O2E 13/24 .25 1/12
O3E 13/24 7/12 1/12
O1F 13/24 1/12 7/12
O2F 5/8 .25 3/4
O3F 5/8 1/12 1/4
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #20b based on stacking sequence ABABCACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003025
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom x y z
SiA 1/48 2/3 1/6
Mg1a 1/12 1/6 0
Mg2a 1/12 0 1/2
SiB 7/48 5/6 0
SiC 3/16 1/3 1/6
Mg1b .25 2/3 1/6
Mg2b .25 0 1/6
SiD 5/16 1/6 0
SiE 17/48 5/6 1/3
Mg1c 5/12 1/6 1/3
Mg2c 5/12 0 5/6
SiF 23/48 5/6 1/3
O1A 23/24 2/3 1/6
O2A 1/24 0 5/6
O3A 1/24 5/6 1/3
O1B 5/24 5/6 0
O2B 1/8 0 1/6
O3B 1/8 2/3 1/6
O1C 1/8 1/3 1/6
O2C 5/24 1/2 0
O3C 5/24 1/6 0
O1D 3/8 1/6 0
O2D 7/24 0 5/6
O3D 7/24 1/6 1/3
O1E 7/24 5/6 1/3
O2E 3/8 1/2 0
O3E 3/8 5/6 0
O1F 13/24 5/6 1/3
O2F 11/24 0 1/6
O3F 11/24 2/3 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #21a based on stacking sequence ABABCACBCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003026
19.595917 6 3.4641016 90 90 90 P2_1cn
atom x y z
SiA 1/48 2/3 0
SiB 1/16 1/6 1/6
Mg1a 1/8 2/3 1/3
Mg2a 1/8 0 1/3
SiC 3/16 1/3 0
SiD 11/48 5/6 1/6
Mg1b 7/24 1/6 1/6
Mg2b 7/24 0 2/3
SiE 17/48 5/6 1/6
SiF 19/48 1/3 1/3
Mg1c 11/24 2/3 0
Mg2c 11/24 0 0
O1A 1/12 2/3 0
O2A 0 0 2/3
O3A 0 2/3 2/3
O1B 0 1/6 1/6
O2B 1/12 0 0
O3B 1/12 1/3 0
O1C .25 1/3 0
O2C 1/6 0 2/3
O3C 1/6 1/3 2/3
O1D 1/6 5/6 1/6
O2D .25 0 0
O3D .25 2/3 0
O1E 5/12 5/6 1/6
O2E 1/3 0 1/3
O3E 1/3 2/3 1/3
O1F 1/3 1/3 1/3
O2F 5/12 0 2/3
O3F 5/12 1/6 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #21b based on stacking sequence ABABCACBCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003027
19.595917 6 3.4641016 90 90 90 P2_1cn
atom x y z
Mg1a 1/24 2/3 1/3
Mg2a 1/24 1/2 5/6
SiA 5/48 1/6 1/6
SiB 7/48 2/3 0
Mg1b 5/24 1/6 5/6
Mg2b 5/24 0 1/3
SiC 13/48 2/3 1/3
SiD 5/16 1/3 0
Mg1c 3/8 2/3 0
Mg2c 3/8 0 0
SiE 7/16 1/3 1/3
SiF 23/48 5/6 1/6
O1A 1/6 1/6 1/6
O2A 1/12 0 0
O3A 1/12 1/3 0
O1B 1/12 2/3 0
O2B 1/6 0 2/3
O3B 1/6 2/3 2/3
O1C 1/3 2/3 1/3
O2C .25 0 0
O3C .25 2/3 0
O1D .25 1/3 0
O2D 1/3 0 1/3
O3D 1/3 1/3 1/3
O1E 1/2 1/3 1/3
O2E 5/12 0 2/3
O3E 5/12 1/3 2/3
O1F 5/12 5/6 1/6
O2F 1/2 0 1/3
O3F 1/2 2/3 1/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #22a based on stacking sequence ABACBACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003028
19.595917 6 3.4641016 90 90. 90 P2/c
atom x y z
Mg1a 0 5/12 1/4
Mg2a 0 .25 3/4
SiA 1/16 1/12 1/4
SiB 5/48 7/12 1/12
Mg1b 1/6 1/12 7/12
Mg2b 1/6 .25 1/12
SiC 11/48 7/12 1/12
SiD 13/48 1/12 11/12
Mg1c 1/3 5/12 11/12
Mg2c 1/3 .25 5/12
SiE 19/48 1/12 7/12
SiF 7/16 5/12 1/4
Mg1d 1/2 1/12 1/4
Mg2d 1/2 .25 3/4
O1A 1/8 1/12 1/4
O2A 1/24 .25 1/12
O3A 1/24 1/12 7/12
O1B 1/24 7/12 1/12
O2B 1/8 3/4 1/4
O3B 1/8 5/12 1/4
O1C 7/24 7/12 1/12
O2C 5/24 .25 5/12
O3C 5/24 7/12 5/12
O1D 5/24 1/12 11/12
O2D 7/24 .25 1/12
O3D 7/24 1/12 7/12
O1E 11/24 1/12 7/12
O2E 3/8 .25 3/4
O3E 3/8 1/12 1/4
O1F 3/8 5/12 1/4
O2F 11/24 .25 1/12
O3F 11/24 7/12 1/12
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #22b based on stacking sequence ABACBACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003029
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom x y z
SiA 1/48 5/6 1/6
Mg1a 1/12 1/6 1/6
Mg2a 1/12 0 2/3
SiB 7/48 5/6 1/6
SiC 3/16 1/3 0
Mg1b .25 2/3 0
Mg2b .25 0 0
SiD 5/16 1/3 0
SiE 17/48 2/3 1/3
Mg1c 5/12 1/6 1/6
Mg2c 5/12 0 2/3
SiF 23/48 2/3 2/3
O1A 23/24 5/6 1/6
O2A 1/24 0 1/3
O3A 1/24 2/3 1/3
O1B 5/24 5/6 1/6
O2B 1/8 0 0
O3B 1/8 2/3 0
O1C 1/8 1/3 0
O2C 5/24 0 2/3
O3C 5/24 1/6 1/6
O1D 3/8 1/3 0
O2D 7/24 0 1/3
O3D 7/24 1/3 1/3
O1E 7/24 2/3 1/3
O2E 3/8 0 0
O3E 3/8 2/3 0
O1F 13/24 2/3 2/3
O2F 11/24 0 1/3
O3F 11/24 2/3 1/3
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #23 based on stacking sequence ABACBACBCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003030
19.595917 6 3.4641016 90 90 90 P2_1cn
atom x y z
SiA 1/48 2/3 0
SiB 1/16 1/6 1/6
Mg1a 1/8 2/3 1/3
Mg2a 1/8 0 1/3
SiC 3/16 1/3 1/3
SiD 11/48 5/6 1/6
Mg1b 7/24 1/6 1/6
Mg2b 7/24 0 2/3
SiE 17/48 5/6 1/6
SiF 19/48 1/3 0
Mg1c 11/24 2/3 0
Mg2c 11/24 0 0
O1A 1/12 2/3 0
O2A 0 0 2/3
O3A 0 2/3 2/3
O1B 0 1/6 1/6
O2B 1/12 0 0
O3B 1/12 1/3 0
O1C .25 1/3 1/3
O2C 1/6 0 2/3
O3C 1/6 1/3 2/3
O1D 1/6 5/6 1/6
O2D .25 0 1/3
O3D .25 2/3 1/3
O1E 5/12 5/6 1/6
O2E 1/3 0 0
O3E 1/3 2/3 0
O1F 1/3 1/3 0
O2F 5/12 0 2/3
O3F 5/12 1/6 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #24 based on stacking sequence ABACBCABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003031
19.899748 6 3.4641016 90 100.024987862 90 C2/c
atom x y z
Mg1a 0 5/12 3/4
Mg2a 0 .25 1/4
SiA 1/16 1/12 13/16
SiB 5/48 5/12 25/48
Mg1b 1/6 1/12 1/4
Mg2b 1/6 .25 3/4
SiC 11/48 5/12 5/16
O1A 1/8 1/12 7/8
O2A 1/24 .25 23/24
O3A 1/24 1/12 11/24
O1B 1/24 5/12 11/24
O2B 1/8 .25 3/8
O3B 1/8 7/12 3/8
O1C 7/24 5/12 3/8
O2C 5/24 3/4 5/8
O3C 5/24 5/12 5/8
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #25 based on stacking sequence ABABABABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003032
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 7/12 1/6
Mg2c 11/24 .25 1/6
SiG 25/48 11/12 5/6
SiH 9/16 7/12 1/2
Mg1d 5/8 11/12 1/6
Mg2d 5/8 .25 1/6
SiJ 11/16 7/12 5/6
SiK 35/48 11/12 1/2
Mg1e 19/24 7/12 1/6
Mg2e 19/24 .25 1/6
SiL 41/48 11/12 1/6
SiM 43/48 7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 1/3
O2J 2/3 .25 1/2
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 5/6
O3K 3/4 1/12 1/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #26 based on stacking sequence ABABABABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003033
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 7/12 1/6
Mg2c 11/24 .25 1/6
SiG 25/48 11/12 5/6
SiH 9/16 7/12 1/2
Mg1d 5/8 11/12 1/6
Mg2d 5/8 .25 1/6
SiJ 11/16 7/12 1/6
SiK 35/48 11/12 1/2
Mg1e 19/24 7/12 5/6
Mg2e 19/24 .25 5/6
SiL 41/48 11/12 1/6
SiM 43/48 7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 2/3
O2J 2/3 .25 1/2
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #27 based on stacking sequence ABABABABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003034
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 7/12 1/6
Mg2c 11/24 .25 1/6
SiG 25/48 11/12 5/6
SiH 9/16 7/12 1/2
Mg1d 5/8 11/12 1/6
Mg2d 5/8 .25 1/6
SiJ 11/16 7/12 1/6
SiK 35/48 11/12 1/2
Mg1e 19/24 7/12 1/2
Mg2e 19/24 .25 1/2
SiL 41/48 11/12 1/6
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 2/3
O2J 2/3 .25 1/2
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #28 based on stacking sequence ABABABACABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003035
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 7/12 1/6
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 0
Mg1d 5/8 1/12 1/3
Mg2d 5/8 .25 5/6
SiJ 11/16 7/12 5/6
SiK 35/48 11/12 1/2
Mg1e 19/24 7/12 1/6
Mg2e 19/24 .25 1/6
SiL 41/48 11/12 1/6
SiM 43/48 7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 2/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 5/12 1/3
O2J 2/3 .25 1/2
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 5/6
O3K 3/4 1/12 1/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #29a based on stacking sequence ABABABACACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003036
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 7/12 1/6
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 0
Mg1d 5/8 1/12 1/3
Mg2d 5/8 .25 5/6
SiJ 11/16 7/12 1/6
SiK 35/48 11/12 1/2
Mg1e 19/24 7/12 1/2
Mg2e 19/24 .25 1/2
SiL 41/48 11/12 1/6
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 2/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 5/12 2/3
O2J 2/3 .25 1/2
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #29b based on stacking sequence ABABABACACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003037
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/2
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 2/3
Mg2c 3/8 .25 1/6
SiE 7/16 11/12 1/2
SiF 23/48 5/12 1/3
Mg1d 13/24 1/12 1/3
Mg2d 13/24 .25 5/6
SiG 29/48 7/12 1/2
SiH 31/48 11/12 1/6
Mg1e 17/24 5/12 1/3
Mg2e 17/24 .25 5/6
SiJ 37/48 11/12 5/6
SiK 13/16 7/12 1/6
Mg1f 7/8 1/12 0
Mg2f 7/8 .25 1/2
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 5/12 0
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/2
O3D 1/3 1/12 0
O1E 1/2 1/12 0
O2E 5/12 .25 5/6
O3E 5/12 1/12 1/3
O1F 5/12 5/12 1/3
O2F 1/2 .25 1/2
O3F 1/2 5/12 0
O1G 2/3 5/12 0
O2G 7/12 .25 1/6
O3G 7/12 7/12 1/6
O1H 7/12 1/12 2/3
O2H 2/3 .25 1/2
O3H 2/3 1/12 0
O1J 5/6 1/12 1/3
O2J 3/4 .25 1/6
O3J 3/4 1/12 2/3
O1K 3/4 7/12 1/6
O2K 5/6 3/4 1/3
O3K 5/6 5/12 1/3
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #30 based on stacking sequence ABABABACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003038
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 7/12 1/6
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 0
Mg1d 5/8 1/12 0
Mg2d 5/8 .25 1/2
SiJ 11/16 5/12 0
SiK 35/48 1/12 1/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 11/12 1/6
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 2/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 5/12 0
O2J 2/3 3/4 1/3
O3J 2/3 5/12 1/3
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/2
O3K 3/4 1/12 0
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #31 based on stacking sequence ABABABACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003039
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 7/12 1/6
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 0
Mg1d 5/8 1/12 0
Mg2d 5/8 .25 1/2
SiJ 11/16 5/12 2/3
SiK 35/48 1/12 1/3
Mg1e 19/24 5/12 0
Mg2e 19/24 .25 1/2
SiL 41/48 11/12 1/6
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 2/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 5/12 2/3
O2J 2/3 3/4 1/3
O3J 2/3 5/12 1/3
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #32a based on stacking sequence ABABABCABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003040
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 5/12 0
Mg2c 11/24 .25 1/2
SiG 25/48 1/12 0
SiH 9/16 7/12 1/6
Mg1d 5/8 1/12 2/3
Mg2d 5/8 .25 1/6
SiJ 11/16 5/12 2/3
SiK 35/48 1/12 1/3
Mg1e 19/24 7/12 5/6
Mg2e 19/24 .25 5/6
SiL 41/48 11/12 1/6
SiM 43/48 7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 0
O2G 1/2 .25 1/6
O3G 1/2 1/12 2/3
O1H 1/2 7/12 1/6
O2H 7/12 3/4 0
O3H 7/12 5/12 0
O1J 3/4 5/12 2/3
O2J 2/3 .25 5/6
O3J 2/3 7/12 5/6
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #32b based on stacking sequence ABABABCABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003041
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/2
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 2/3
Mg2c 3/8 .25 1/6
SiE 7/16 1/12 2/3
SiF 23/48 5/12 1/3
Mg1d 13/24 1/12 1/3
Mg2d 13/24 .25 5/6
SiG 29/48 7/12 5/6
SiH 31/48 1/12 0
Mg1e 17/24 5/12 0
Mg2e 17/24 .25 1/2
SiJ 37/48 1/12 0
SiK 13/16 5/12 2/3
Mg1f 7/8 1/12 1/3
Mg2f 7/8 .25 5/6
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 5/12 0
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/2
O3D 1/3 1/12 0
O1E 1/2 1/12 2/3
O2E 5/12 .25 5/6
O3E 5/12 1/12 1/3
O1F 5/12 5/12 1/3
O2F 1/2 .25 1/6
O3F 1/2 5/12 2/3
O1G 2/3 7/12 5/6
O2G 7/12 .25 1/2
O3G 7/12 5/12 0
O1H 7/12 1/12 0
O2H 2/3 .25 5/6
O3H 2/3 1/12 1/3
O1J 5/6 1/12 0
O2J 3/4 .25 1/6
O3J 3/4 1/12 2/3
O1K 3/4 7/12 1/6
O2K 5/6 3/4 0
O3K 5/6 5/12 0
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #33a based on stacking sequence ABABABCABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003042
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 5/12 0
Mg2c 11/24 .25 1/2
SiG 25/48 1/12 0
SiH 9/16 7/12 1/6
Mg1d 5/8 1/12 2/3
Mg2d 5/8 .25 1/6
SiJ 11/16 5/12 2/3
SiK 35/48 1/12 1/3
Mg1e 19/24 5/12 0
Mg2e 19/24 .25 1/2
SiL 41/48 1/12 2/3
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 0
O2G 1/2 .25 1/6
O3G 1/2 1/12 2/3
O1H 1/2 7/12 1/6
O2H 7/12 3/4 0
O3H 7/12 5/12 0
O1J 3/4 5/12 2/3
O2J 2/3 .25 5/6
O3J 2/3 7/12 5/6
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #33b based on stacking sequence ABABABCABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003043
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/2
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 2/3
Mg2c 3/8 .25 1/6
SiE 7/16 1/12 2/3
SiF 23/48 5/12 1/3
Mg1d 13/24 1/12 1/3
Mg2d 13/24 .25 5/6
SiG 29/48 7/12 5/6
SiH 31/48 1/12 0
Mg1e 17/24 5/12 0
Mg2e 17/24 .25 1/2
SiJ 37/48 1/12 1/3
SiK 13/16 7/12 1/6
Mg1f 7/8 1/12 0
Mg2f 7/8 .25 1/2
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 5/12 0
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/2
O3D 1/3 1/12 0
O1E 1/2 1/12 2/3
O2E 5/12 .25 5/6
O3E 5/12 1/12 1/3
O1F 5/12 5/12 1/3
O2F 1/2 .25 1/6
O3F 1/2 5/12 2/3
O1G 2/3 7/12 5/6
O2G 7/12 .25 1/2
O3G 7/12 5/12 0
O1H 7/12 1/12 0
O2H 2/3 .25 5/6
O3H 2/3 1/12 1/3
O1J 5/6 1/12 1/3
O2J 3/4 .25 1/6
O3J 3/4 1/12 2/3
O1K 3/4 7/12 1/6
O2K 5/6 .25 5/6
O3K 5/6 5/12 1/3
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #34a based on stacking sequence ABABABCACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003044
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 5/12 0
Mg2c 11/24 .25 1/2
SiG 25/48 1/12 0
SiH 9/16 7/12 1/6
Mg1d 5/8 1/12 1/3
Mg2d 5/8 .25 5/6
SiJ 11/16 5/12 1/3
SiK 35/48 1/12 2/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 11/12 1/6
SiM 43/48 7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 0
O2G 1/2 .25 1/6
O3G 1/2 1/12 2/3
O1H 1/2 7/12 1/6
O2H 7/12 3/4 0
O3H 7/12 5/12 0
O1J 3/4 5/12 1/3
O2J 2/3 .25 1/6
O3J 2/3 7/12 1/6
O1K 2/3 1/12 2/3
O2K 3/4 .25 5/6
O3K 3/4 1/12 1/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #34b based on stacking sequence ABABABCACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003045
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/2
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 2/3
Mg2c 3/8 .25 1/6
SiE 7/16 1/12 2/3
SiF 23/48 5/12 1/3
Mg1d 13/24 1/12 1/3
Mg2d 13/24 .25 5/6
SiG 29/48 5/12 2/3
SiH 31/48 1/12 0
Mg1e 17/24 5/12 0
Mg2e 17/24 .25 1/2
SiJ 37/48 1/12 0
SiK 13/16 5/12 1/3
Mg1f 7/8 1/12 1/3
Mg2f 7/8 .25 5/6
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 5/12 0
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/2
O3D 1/3 1/12 0
O1E 1/2 1/12 2/3
O2E 5/12 .25 5/6
O3E 5/12 1/12 1/3
O1F 5/12 5/12 1/3
O2F 1/2 .25 1/6
O3F 1/2 5/12 2/3
O1G 2/3 5/12 2/3
O2G 7/12 .25 1/2
O3G 7/12 5/12 0
O1H 7/12 1/12 0
O2H 2/3 .25 1/6
O3H 2/3 1/12 2/3
O1J 5/6 1/12 0
O2J 3/4 .25 5/6
O3J 3/4 1/12 1/3
O1K 3/4 5/12 1/3
O2K 5/6 3/4 0
O3K 5/6 5/12 0
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #35a based on stacking sequence ABABABCBACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003046
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 5/12 0
Mg2c 11/24 .25 1/2
SiG 25/48 1/12 1/3
SiH 9/16 7/12 1/6
Mg1d 5/8 1/12 2/3
Mg2d 5/8 .25 1/6
SiJ 11/16 7/12 1/6
SiK 35/48 1/12 0
Mg1e 19/24 7/12 5/6
Mg2e 19/24 .25 5/6
SiL 41/48 11/12 1/6
SiM 43/48 7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/6
O3G 1/2 1/12 2/3
O1H 1/2 7/12 1/6
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 2/3
O2J 2/3 3/4 0
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #35b based on stacking sequence ABABABCBACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003047
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/2
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 2/3
Mg2c 3/8 .25 1/6
SiE 7/16 1/12 2/3
SiF 23/48 5/12 1/3
Mg1d 13/24 1/12 0
Mg2d 13/24 .25 1/2
SiG 29/48 5/12 0
SiH 31/48 1/12 1/3
Mg1e 17/24 5/12 1/3
Mg2e 17/24 .25 5/6
SiJ 37/48 1/12 0
SiK 13/16 5/12 2/3
Mg1f 7/8 1/12 1/3
Mg2f 7/8 .25 5/6
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 5/12 0
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/2
O3D 1/3 1/12 0
O1E 1/2 1/12 2/3
O2E 5/12 .25 5/6
O3E 5/12 1/12 1/3
O1F 5/12 5/12 1/3
O2F 1/2 .25 1/6
O3F 1/2 5/12 2/3
O1G 2/3 5/12 0
O2G 7/12 3/4 1/3
O3G 7/12 5/12 1/3
O1H 7/12 1/12 1/3
O2H 2/3 .25 1/2
O3H 2/3 1/12 0
O1J 5/6 1/12 0
O2J 3/4 .25 1/6
O3J 3/4 1/12 2/3
O1K 3/4 7/12 1/6
O2K 5/6 3/4 0
O3K 5/6 5/12 0
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #36 based on stacking sequence ABABACABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003048
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 1/6
SiF 19/48 1/12 0
Mg1c 11/24 5/12 1/3
Mg2c 11/24 .25 5/6
SiG 25/48 11/12 5/6
SiH 9/16 7/12 1/2
Mg1d 5/8 11/12 1/6
Mg2d 5/8 .25 1/6
SiJ 11/16 7/12 1/6
SiK 35/48 11/12 1/2
Mg1e 19/24 7/12 5/6
Mg2e 19/24 .25 5/6
SiL 41/48 11/12 1/6
SiM 43/48 7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 1/6
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 1/6
O3F 5/12 1/12 2/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 2/3
O2J 2/3 .25 1/2
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #37a based on stacking sequence ABABACABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003049
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 1/6
SiF 19/48 1/12 0
Mg1c 11/24 5/12 1/3
Mg2c 11/24 .25 5/6
SiG 25/48 11/12 5/6
SiH 9/16 7/12 1/2
Mg1d 5/8 11/12 1/6
Mg2d 5/8 .25 1/6
SiJ 11/16 7/12 1/6
SiK 35/48 11/12 1/2
Mg1e 19/24 7/12 1/2
Mg2e 19/24 .25 1/2
SiL 41/48 11/12 1/6
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 1/6
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 1/6
O3F 5/12 1/12 2/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 2/3
O2J 2/3 .25 1/2
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #37b based on stacking sequence ABABACABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003050
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/2
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 1/3
Mg2c 3/8 .25 5/6
SiE 7/16 1/12 0
SiF 23/48 7/12 1/6
Mg1d 13/24 1/12 2/3
Mg2d 13/24 .25 1/6
SiG 29/48 5/12 0
SiH 31/48 1/12 1/3
Mg1e 17/24 5/12 1/3
Mg2e 17/24 .25 5/6
SiJ 37/48 11/12 5/6
SiK 13/16 7/12 1/6
Mg1f 7/8 1/12 0
Mg2f 7/8 .25 1/2
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 5/12 0
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/2
O3D 1/3 1/12 0
O1E 1/2 1/12 0
O2E 5/12 .25 1/6
O3E 5/12 1/12 2/3
O1F 5/12 7/12 1/6
O2F 1/2 3/4 0
O3F 1/2 5/12 0
O1G 2/3 5/12 0
O2G 7/12 3/4 1/3
O3G 7/12 5/12 1/3
O1H 7/12 1/12 1/3
O2H 2/3 .25 1/2
O3H 2/3 1/12 0
O1J 5/6 1/12 1/3
O2J 3/4 .25 1/6
O3J 3/4 1/12 2/3
O1K 3/4 7/12 1/6
O2K 5/6 3/4 1/3
O3K 5/6 5/12 1/3
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #38a based on stacking sequence ABABACABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003051
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 1/6
SiF 19/48 1/12 0
Mg1c 11/24 5/12 1/3
Mg2c 11/24 .25 5/6
SiG 25/48 11/12 5/6
SiH 9/16 7/12 1/2
Mg1d 5/8 1/12 0
Mg2d 5/8 .25 1/2
SiJ 11/16 5/12 0
SiK 35/48 1/12 2/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 11/12 1/6
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 1/6
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 1/6
O3F 5/12 1/12 2/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 0
O2J 2/3 .25 1/6
O3J 2/3 7/12 1/6
O1K 2/3 1/12 2/3
O2K 3/4 .25 1/2
O3K 3/4 1/12 0
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #38b based on stacking sequence ABABACABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003052
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/2
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 1/3
Mg2c 3/8 .25 5/6
SiE 7/16 1/12 0
SiF 23/48 7/12 1/6
Mg1d 13/24 1/12 2/3
Mg2d 13/24 .25 1/6
SiG 29/48 7/12 1/6
SiH 31/48 1/12 1/3
Mg1e 17/24 5/12 1/3
Mg2e 17/24 .25 5/6
SiJ 37/48 1/12 1/3
SiK 13/16 5/12 0
Mg1f 7/8 1/12 0
Mg2f 7/8 .25 1/2
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 5/12 0
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/2
O3D 1/3 1/12 0
O1E 1/2 1/12 0
O2E 5/12 .25 1/6
O3E 5/12 1/12 2/3
O1F 5/12 7/12 1/6
O2F 1/2 3/4 0
O3F 1/2 5/12 0
O1G 2/3 7/12 1/6
O2G 7/12 3/4 1/3
O3G 7/12 5/12 1/3
O1H 7/12 1/12 1/3
O2H 2/3 .25 1/6
O3H 2/3 1/12 2/3
O1J 5/6 1/12 1/3
O2J 3/4 .25 1/2
O3J 3/4 1/12 0
O1K 3/4 5/12 0
O2K 5/6 3/4 1/3
O3K 5/6 5/12 1/3
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #39 based on stacking sequence ABABACABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003053
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 1/6
SiF 19/48 1/12 0
Mg1c 11/24 5/12 1/3
Mg2c 11/24 .25 5/6
SiG 25/48 11/12 5/6
SiH 9/16 7/12 1/2
Mg1d 5/8 1/12 0
Mg2d 5/8 .25 1/2
SiJ 11/16 5/12 1/3
SiK 35/48 1/12 2/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 1/12 2/3
SiM 43/48 5/12 0
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 1/6
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 1/6
O3F 5/12 1/12 2/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 1/3
O2J 2/3 .25 1/6
O3J 2/3 7/12 1/6
O1K 2/3 1/12 2/3
O2K 3/4 .25 5/6
O3K 3/4 1/12 1/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #40a based on stacking sequence ABABACACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003054
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 1/6
SiF 19/48 1/12 0
Mg1c 11/24 5/12 1/3
Mg2c 11/24 .25 5/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 0
Mg1d 5/8 1/12 0
Mg2d 5/8 .25 1/2
SiJ 11/16 5/12 0
SiK 35/48 1/12 1/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 11/12 1/6
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 1/6
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 1/6
O3F 5/12 1/12 2/3
O1G 7/12 1/12 2/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 5/12 0
O2J 2/3 3/4 1/3
O3J 2/3 5/12 1/3
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/2
O3K 3/4 1/12 0
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #40b based on stacking sequence ABABACACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003055
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/2
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 1/3
Mg2c 3/8 .25 5/6
SiE 7/16 1/12 0
SiF 23/48 7/12 1/6
Mg1d 13/24 1/12 1/3
Mg2d 13/24 .25 5/6
SiG 29/48 5/12 1/3
SiH 31/48 1/12 2/3
Mg1e 17/24 5/12 2/3
Mg2e 17/24 .25 1/6
SiJ 37/48 1/12 1/3
SiK 13/16 5/12 0
Mg1f 7/8 1/12 0
Mg2f 7/8 .25 1/2
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 5/12 0
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/2
O3D 1/3 1/12 0
O1E 1/2 1/12 0
O2E 5/12 .25 1/6
O3E 5/12 1/12 2/3
O1F 5/12 7/12 1/6
O2F 1/2 3/4 0
O3F 1/2 5/12 0
O1G 2/3 5/12 1/3
O2G 7/12 .25 1/6
O3G 7/12 7/12 1/6
O1H 7/12 1/12 2/3
O2H 2/3 .25 5/6
O3H 2/3 1/12 1/3
O1J 5/6 1/12 1/3
O2J 3/4 .25 1/2
O3J 3/4 1/12 0
O1K 3/4 5/12 0
O2K 5/6 3/4 1/3
O3K 5/6 5/12 1/3
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #41 based on stacking sequence ABABACACBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003056
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 1/6
SiF 19/48 1/12 0
Mg1c 11/24 5/12 1/3
Mg2c 11/24 .25 5/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 0
Mg1d 5/8 1/12 0
Mg2d 5/8 .25 1/2
SiJ 11/16 7/12 1/6
SiK 35/48 1/12 1/3
Mg1e 19/24 5/12 1/3
Mg2e 19/24 .25 5/6
SiL 41/48 1/12 2/3
SiM 43/48 5/12 0
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 1/6
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 1/6
O3F 5/12 1/12 2/3
O1G 7/12 1/12 2/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 7/12 1/6
O2J 2/3 3/4 1/3
O3J 2/3 5/12 1/3
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #42a based on stacking sequence ABABACBABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003057
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 1/6
SiF 19/48 1/12 0
Mg1c 11/24 5/12 0
Mg2c 11/24 .25 1/2
SiG 25/48 1/12 0
SiH 9/16 5/12 1/3
Mg1d 5/8 1/12 2/3
Mg2d 5/8 .25 1/6
SiJ 11/16 5/12 2/3
SiK 35/48 1/12 1/3
Mg1e 19/24 5/12 0
Mg2e 19/24 .25 1/2
SiL 41/48 1/12 2/3
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 1/6
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 1/6
O3F 5/12 1/12 2/3
O1G 7/12 1/12 0
O2G 1/2 .25 5/6
O3G 1/2 1/12 1/3
O1H 1/2 5/12 1/3
O2H 7/12 3/4 0
O3H 7/12 5/12 0
O1J 3/4 5/12 2/3
O2J 2/3 .25 5/6
O3J 2/3 7/12 5/6
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #42b based on stacking sequence ABABACBABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003058
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/2
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 1/3
Mg2c 3/8 .25 5/6
SiE 7/16 1/12 1/3
SiF 23/48 7/12 1/6
Mg1d 13/24 1/12 2/3
Mg2d 13/24 .25 1/6
SiG 29/48 7/12 5/6
SiH 31/48 1/12 0
Mg1e 17/24 5/12 0
Mg2e 17/24 .25 1/2
SiJ 37/48 1/12 1/3
SiK 13/16 7/12 1/6
Mg1f 7/8 1/12 0
Mg2f 7/8 .25 1/2
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 5/12 0
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/2
O3D 1/3 1/12 0
O1E 1/2 1/12 1/3
O2E 5/12 .25 1/6
O3E 5/12 1/12 2/3
O1F 5/12 7/12 1/6
O2F 1/2 3/4 1/3
O3F 1/2 5/12 1/3
O1G 2/3 7/12 5/6
O2G 7/12 .25 1/2
O3G 7/12 5/12 0
O1H 7/12 1/12 0
O2H 2/3 .25 5/6
O3H 2/3 1/12 1/3
O1J 5/6 1/12 1/3
O2J 3/4 .25 1/6
O3J 3/4 1/12 2/3
O1K 3/4 7/12 1/6
O2K 5/6 .25 5/6
O3K 5/6 5/12 1/3
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #43 based on stacking sequence ABABACBACABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003059
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 1/6
SiF 19/48 1/12 0
Mg1c 11/24 5/12 0
Mg2c 11/24 .25 1/2
SiG 25/48 1/12 0
SiH 9/16 5/12 1/3
Mg1d 5/8 1/12 1/3
Mg2d 5/8 .25 5/6
SiJ 11/16 5/12 0
SiK 35/48 1/12 2/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 1/12 2/3
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 1/6
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 1/6
O3F 5/12 1/12 2/3
O1G 7/12 1/12 0
O2G 1/2 .25 5/6
O3G 1/2 1/12 1/3
O1H 1/2 5/12 1/3
O2H 7/12 3/4 0
O3H 7/12 5/12 0
O1J 3/4 5/12 0
O2J 2/3 .25 1/6
O3J 2/3 7/12 1/6
O1K 2/3 1/12 2/3
O2K 3/4 .25 1/2
O3K 3/4 1/12 0
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #44 based on stacking sequence ABABACBCACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003060
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 11/12 1/6
Mg2b 7/24 .25 1/6
SiE 17/48 7/12 1/6
SiF 19/48 1/12 0
Mg1c 11/24 5/12 0
Mg2c 11/24 .25 1/2
SiG 25/48 1/12 2/3
SiH 9/16 5/12 1/3
Mg1d 5/8 1/12 1/3
Mg2d 5/8 .25 5/6
SiJ 11/16 7/12 1/6
SiK 35/48 1/12 0
Mg1e 19/24 5/12 0
Mg2e 19/24 .25 1/2
SiL 41/48 1/12 2/3
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 1/6
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 1/6
O3F 5/12 1/12 2/3
O1G 7/12 1/12 2/3
O2G 1/2 .25 5/6
O3G 1/2 1/12 1/3
O1H 1/2 5/12 1/3
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 5/12 2/3
O2J 2/3 3/4 0
O3J 2/3 1/12 0
O1K 2/3 5/12 0
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #45a based on stacking sequence ABABCABABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003061
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 1/12 0
Mg2b 7/24 .25 1/2
SiE 17/48 5/12 0
SiF 19/48 1/12 2/3
Mg1c 11/24 5/12 2/3
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 0
SiH 9/16 5/12 1/3
Mg1d 5/8 1/12 2/3
Mg2d 5/8 .25 1/6
SiJ 11/16 5/12 2/3
SiK 35/48 1/12 1/3
Mg1e 19/24 7/12 5/6
Mg2e 19/24 .25 5/6
SiL 41/48 11/12 1/6
SiM 43/48 7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 0
O2E 1/3 .25 1/6
O3E 1/3 7/12 1/6
O1F 1/3 1/12 2/3
O2F 5/12 .25 1/2
O3F 5/12 1/12 0
O1G 7/12 1/12 0
O2G 1/2 .25 5/6
O3G 1/2 1/12 1/3
O1H 1/2 5/12 1/3
O2H 7/12 3/4 0
O3H 7/12 5/12 0
O1J 3/4 5/12 2/3
O2J 2/3 .25 5/6
O3J 2/3 7/12 5/6
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #45b based on stacking sequence ABABCABABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003062
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/6
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 1/3
Mg2c 3/8 .25 5/6
SiE 7/16 1/12 1/3
SiF 23/48 5/12 0
Mg1d 13/24 1/12 2/3
Mg2d 13/24 .25 1/6
SiG 29/48 7/12 5/6
SiH 31/48 1/12 0
Mg1e 17/24 5/12 0
Mg2e 17/24 .25 1/2
SiJ 37/48 1/12 0
SiK 13/16 5/12 2/3
Mg1f 7/8 1/12 1/3
Mg2f 7/8 .25 5/6
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 7/12 1/6
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/6
O3D 1/3 1/12 2/3
O1E 1/2 1/12 1/3
O2E 5/12 .25 1/2
O3E 5/12 1/12 0
O1F 5/12 5/12 0
O2F 1/2 3/4 1/3
O3F 1/2 5/12 1/3
O1G 2/3 7/12 5/6
O2G 7/12 .25 1/2
O3G 7/12 5/12 0
O1H 7/12 1/12 0
O2H 2/3 .25 5/6
O3H 2/3 1/12 1/3
O1J 5/6 1/12 0
O2J 3/4 .25 1/6
O3J 3/4 1/12 2/3
O1K 3/4 7/12 1/6
O2K 5/6 3/4 0
O3K 5/6 5/12 0
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #46a based on stacking sequence ABABCABACABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003063
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 1/12 0
Mg2b 7/24 .25 1/2
SiE 17/48 5/12 0
SiF 19/48 1/12 2/3
Mg1c 11/24 5/12 2/3
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 0
SiH 9/16 5/12 1/3
Mg1d 5/8 1/12 1/3
Mg2d 5/8 .25 5/6
SiJ 11/16 5/12 0
SiK 35/48 1/12 2/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 1/12 2/3
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 0
O2E 1/3 .25 1/6
O3E 1/3 7/12 1/6
O1F 1/3 1/12 2/3
O2F 5/12 .25 1/2
O3F 5/12 1/12 0
O1G 7/12 1/12 0
O2G 1/2 .25 5/6
O3G 1/2 1/12 1/3
O1H 1/2 5/12 1/3
O2H 7/12 3/4 0
O3H 7/12 5/12 0
O1J 3/4 5/12 0
O2J 2/3 .25 1/6
O3J 2/3 7/12 1/6
O1K 2/3 1/12 2/3
O2K 3/4 .25 1/2
O3K 3/4 1/12 0
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #46b based on stacking sequence ABABCABACABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003064
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/6
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 1/3
Mg2c 3/8 .25 5/6
SiE 7/16 1/12 1/3
SiF 23/48 5/12 0
Mg1d 13/24 1/12 2/3
Mg2d 13/24 .25 1/6
SiG 29/48 7/12 1/6
SiH 31/48 1/12 0
Mg1e 17/24 5/12 1/3
Mg2e 17/24 .25 5/6
SiJ 37/48 1/12 1/3
SiK 13/16 5/12 0
Mg1f 7/8 1/12 0
Mg2f 7/8 .25 1/2
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 7/12 1/6
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/6
O3D 1/3 1/12 2/3
O1E 1/2 1/12 1/3
O2E 5/12 .25 1/2
O3E 5/12 1/12 0
O1F 5/12 5/12 0
O2F 1/2 3/4 1/3
O3F 1/2 5/12 1/3
O1G 2/3 7/12 1/6
O2G 7/12 .25 1/2
O3G 7/12 5/12 0
O1H 7/12 1/12 0
O2H 2/3 .25 1/6
O3H 2/3 1/12 2/3
O1J 5/6 1/12 1/3
O2J 3/4 .25 1/2
O3J 3/4 1/12 0
O1K 3/4 5/12 0
O2K 5/6 3/4 1/3
O3K 5/6 5/12 1/3
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #47a based on stacking sequence ABABCABACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003065
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 1/12 0
Mg2b 7/24 .25 1/2
SiE 17/48 5/12 0
SiF 19/48 1/12 2/3
Mg1c 11/24 5/12 2/3
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 0
SiH 9/16 5/12 1/3
Mg1d 5/8 1/12 1/3
Mg2d 5/8 .25 5/6
SiJ 11/16 5/12 1/3
SiK 35/48 1/12 2/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 1/12 2/3
SiM 43/48 5/12 0
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 0
O2E 1/3 .25 1/6
O3E 1/3 7/12 1/6
O1F 1/3 1/12 2/3
O2F 5/12 .25 1/2
O3F 5/12 1/12 0
O1G 7/12 1/12 0
O2G 1/2 .25 5/6
O3G 1/2 1/12 1/3
O1H 1/2 5/12 1/3
O2H 7/12 3/4 0
O3H 7/12 5/12 0
O1J 3/4 5/12 1/3
O2J 2/3 .25 1/6
O3J 2/3 7/12 1/6
O1K 2/3 1/12 2/3
O2K 3/4 .25 5/6
O3K 3/4 1/12 1/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #47b based on stacking sequence ABABCABACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003066
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/6
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 1/3
Mg2c 3/8 .25 5/6
SiE 7/16 1/12 1/3
SiF 23/48 5/12 0
Mg1d 13/24 1/12 2/3
Mg2d 13/24 .25 1/6
SiG 29/48 7/12 1/6
SiH 31/48 1/12 0
Mg1e 17/24 5/12 0
Mg2e 17/24 .25 1/2
SiJ 37/48 1/12 0
SiK 13/16 5/12 1/3
Mg1f 7/8 1/12 1/3
Mg2f 7/8 .25 5/6
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 7/12 1/6
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/6
O3D 1/3 1/12 2/3
O1E 1/2 1/12 1/3
O2E 5/12 .25 1/2
O3E 5/12 1/12 0
O1F 5/12 5/12 0
O2F 1/2 3/4 1/3
O3F 1/2 5/12 1/3
O1G 2/3 7/12 1/6
O2G 7/12 .25 1/2
O3G 7/12 5/12 0
O1H 7/12 1/12 0
O2H 2/3 .25 1/6
O3H 2/3 1/12 2/3
O1J 5/6 1/12 0
O2J 3/4 .25 5/6
O3J 3/4 1/12 1/3
O1K 3/4 5/12 1/3
O2K 5/6 3/4 0
O3K 5/6 5/12 0
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #48a based on stacking sequence ABABCABCABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003067
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 1/12 0
Mg2b 7/24 .25 1/2
SiE 17/48 5/12 0
SiF 19/48 1/12 2/3
Mg1c 11/24 5/12 2/3
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 1/3
Mg1d 5/8 1/12 1/3
Mg2d 5/8 .25 5/6
SiJ 11/16 5/12 1/3
SiK 35/48 1/12 0
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 1/12 2/3
SiM 43/48 5/12 0
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 0
O2E 1/3 .25 1/6
O3E 1/3 7/12 1/6
O1F 1/3 1/12 2/3
O2F 5/12 .25 1/2
O3F 5/12 1/12 0
O1G 7/12 1/12 2/3
O2G 1/2 .25 5/6
O3G 1/2 1/12 1/3
O1H 1/2 5/12 1/3
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 5/12 1/3
O2J 2/3 3/4 0
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 5/6
O3K 3/4 1/12 1/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #48b based on stacking sequence ABABCABCABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003068
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/6
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 1/3
Mg2c 3/8 .25 5/6
SiE 7/16 1/12 1/3
SiF 23/48 5/12 0
Mg1d 13/24 1/12 0
Mg2d 13/24 .25 1/2
SiG 29/48 5/12 0
SiH 31/48 1/12 2/3
Mg1e 17/24 5/12 2/3
Mg2e 17/24 .25 1/6
SiJ 37/48 1/12 0
SiK 13/16 5/12 1/3
Mg1f 7/8 1/12 1/3
Mg2f 7/8 .25 5/6
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 7/12 1/6
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/6
O3D 1/3 1/12 2/3
O1E 1/2 1/12 1/3
O2E 5/12 .25 1/2
O3E 5/12 1/12 0
O1F 5/12 5/12 0
O2F 1/2 3/4 1/3
O3F 1/2 5/12 1/3
O1G 2/3 5/12 0
O2G 7/12 .25 1/6
O3G 7/12 7/12 1/6
O1H 7/12 1/12 2/3
O2H 2/3 .25 1/2
O3H 2/3 1/12 0
O1J 5/6 1/12 0
O2J 3/4 .25 5/6
O3J 3/4 1/12 1/3
O1K 3/4 5/12 1/3
O2K 5/6 3/4 0
O3K 5/6 5/12 0
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #49a based on stacking sequence ABABCABCACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003069
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 1/12 0
Mg2b 7/24 .25 1/2
SiE 17/48 5/12 0
SiF 19/48 1/12 2/3
Mg1c 11/24 5/12 2/3
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 1/3
Mg1d 5/8 1/12 1/3
Mg2d 5/8 .25 5/6
SiJ 11/16 7/12 1/6
SiK 35/48 1/12 0
Mg1e 19/24 5/12 0
Mg2e 19/24 .25 1/2
SiL 41/48 1/12 2/3
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 0
O2E 1/3 .25 1/6
O3E 1/3 7/12 1/6
O1F 1/3 1/12 2/3
O2F 5/12 .25 1/2
O3F 5/12 1/12 0
O1G 7/12 1/12 2/3
O2G 1/2 .25 5/6
O3G 1/2 1/12 1/3
O1H 1/2 5/12 1/3
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 7/12 1/6
O2J 2/3 3/4 0
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #49b based on stacking sequence ABABCABCACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003070
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/6
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 1/3
Mg2c 3/8 .25 5/6
SiE 7/16 1/12 1/3
SiF 23/48 5/12 0
Mg1d 13/24 1/12 0
Mg2d 13/24 .25 1/2
SiG 29/48 5/12 0
SiH 31/48 1/12 2/3
Mg1e 17/24 5/12 1/3
Mg2e 17/24 .25 5/6
SiJ 37/48 1/12 1/3
SiK 13/16 7/12 1/6
Mg1f 7/8 1/12 0
Mg2f 7/8 .25 1/2
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 7/12 1/6
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/6
O3D 1/3 1/12 2/3
O1E 1/2 1/12 1/3
O2E 5/12 .25 1/2
O3E 5/12 1/12 0
O1F 5/12 5/12 0
O2F 1/2 3/4 1/3
O3F 1/2 5/12 1/3
O1G 2/3 5/12 0
O2G 7/12 .25 1/6
O3G 7/12 7/12 1/6
O1H 7/12 1/12 2/3
O2H 2/3 .25 1/2
O3H 2/3 1/12 0
O1J 5/6 1/12 1/3
O2J 3/4 .25 1/6
O3J 3/4 1/12 2/3
O1K 3/4 7/12 1/6
O2K 5/6 3/4 1/3
O3K 5/6 5/12 1/3
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #50 based on stacking sequence ABABCACBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003071
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 1/12 0
Mg2b 7/24 .25 1/2
SiE 17/48 5/12 0
SiF 19/48 1/12 2/3
Mg1c 11/24 5/12 1/3
Mg2c 11/24 .25 5/6
SiG 25/48 1/12 1/3
SiH 9/16 7/12 1/6
Mg1d 5/8 1/12 2/3
Mg2d 5/8 .25 1/6
SiJ 11/16 5/12 1/3
SiK 35/48 1/12 0
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 1/12 2/3
SiM 43/48 5/12 0
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 0
O2E 1/3 .25 1/6
O3E 1/3 7/12 1/6
O1F 1/3 1/12 2/3
O2F 5/12 .25 1/2
O3F 5/12 1/12 0
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/6
O3G 1/2 1/12 2/3
O1H 1/2 7/12 1/6
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 1/3
O2J 2/3 3/4 0
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 5/6
O3K 3/4 1/12 1/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #51a based on stacking sequence ABABCBABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003072
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 1/12 0
Mg2b 7/24 .25 1/2
SiE 17/48 7/12 5/6
SiF 19/48 1/12 2/3
Mg1c 11/24 5/12 2/3
Mg2c 11/24 .25 1/6
SiG 25/48 11/12 5/6
SiH 9/16 7/12 1/2
Mg1d 5/8 1/12 0
Mg2d 5/8 .25 1/2
SiJ 11/16 5/12 1/3
SiK 35/48 1/12 2/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 1/12 2/3
SiM 43/48 5/12 0
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 7/12 5/6
O2E 1/3 .25 1/6
O3E 1/3 7/12 1/6
O1F 1/3 1/12 2/3
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 1/3
O2J 2/3 .25 1/6
O3J 2/3 7/12 1/6
O1K 2/3 1/12 2/3
O2K 3/4 .25 5/6
O3K 3/4 1/12 1/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #51b based on stacking sequence ABABCBABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003073
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
Mg1a 1/24 7/12 1/6
Mg2a 1/24 .25 1/6
SiA 5/48 1/12 0
SiB 7/48 5/12 1/3
Mg1b 5/24 1/12 2/3
Mg2b 5/24 .25 1/6
SiC 13/48 7/12 1/6
SiD 5/16 1/12 1/3
Mg1c 3/8 5/12 0
Mg2c 3/8 .25 1/2
SiE 7/16 1/12 0
SiF 23/48 5/12 1/3
Mg1d 13/24 1/12 2/3
Mg2d 13/24 .25 1/6
SiG 29/48 7/12 1/6
SiH 31/48 1/12 1/3
Mg1e 17/24 5/12 0
Mg2e 17/24 .25 1/2
SiJ 37/48 1/12 0
SiK 13/16 5/12 1/3
Mg1f 7/8 1/12 1/3
Mg2f 7/8 .25 5/6
SiL 15/16 7/12 1/2
SiM 47/48 11/12 1/6
O1A 1/6 1/12 0
O2A 1/12 .25 5/6
O3A 1/12 1/12 1/3
O1B 1/12 5/12 1/3
O2B 1/6 .25 1/2
O3B 1/6 5/12 0
O1C 1/3 7/12 1/6
O2C .25 3/4 1/3
O3C .25 5/12 1/3
O1D .25 1/12 1/3
O2D 1/3 .25 1/6
O3D 1/3 1/12 2/3
O1E 1/2 1/12 0
O2E 5/12 .25 5/6
O3E 5/12 1/12 1/3
O1F 5/12 5/12 1/3
O2F 1/2 3/4 0
O3F 1/2 5/12 0
O1G 2/3 7/12 1/6
O2G 7/12 3/4 1/3
O3G 7/12 5/12 1/3
O1H 7/12 1/12 1/3
O2H 2/3 .25 1/6
O3H 2/3 1/12 2/3
O1J 5/6 1/12 0
O2J 3/4 .25 5/6
O3J 3/4 1/12 1/3
O1K 3/4 5/12 1/3
O2K 5/6 3/4 0
O3K 5/6 5/12 0
O1L 0 5/12 0
O2L 11/12 .25 1/6
O3L 11/12 7/12 1/6
O1M 11/12 1/12 2/3
O2M 0 .25 1/2
O3M 0 1/12 0
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #52 based on stacking sequence ABABCBACBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003074
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 11/12 5/6
SiD 11/48 7/12 1/2
Mg1b 7/24 1/12 0
Mg2b 7/24 .25 1/2
SiE 17/48 5/12 1/3
SiF 19/48 1/12 2/3
Mg1c 11/24 5/12 2/3
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 0
Mg1d 5/8 1/12 0
Mg2d 5/8 .25 1/2
SiJ 11/16 7/12 1/6
SiK 35/48 1/12 1/3
Mg1e 19/24 5/12 1/3
Mg2e 19/24 .25 5/6
SiL 41/48 1/12 2/3
SiM 43/48 5/12 0
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 1/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 5/6
O3D .25 5/12 1/3
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/6
O3E 1/3 7/12 1/6
O1F 1/3 1/12 2/3
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 2/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 7/12 1/6
O2J 2/3 3/4 1/3
O3J 2/3 5/12 1/3
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 1/2
O3L 5/6 1/12 0
O1M 5/6 5/12 0
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #53 based on stacking sequence ABACABACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003075
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 1/12 2/3
SiD 11/48 5/12 0
Mg1b 7/24 1/12 1/3
Mg2b 7/24 .25 5/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 7/12 1/6
Mg2c 11/24 .25 1/6
SiG 25/48 1/12 2/3
SiH 9/16 5/12 0
Mg1d 5/8 1/12 0
Mg2d 5/8 .25 1/2
SiJ 11/16 5/12 0
SiK 35/48 1/12 1/3
Mg1e 19/24 5/12 2/3
Mg2e 19/24 .25 1/6
SiL 41/48 11/12 1/6
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 2/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 1/6
O3D .25 7/12 1/6
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 2/3
O2G 1/2 .25 1/2
O3G 1/2 1/12 0
O1H 1/2 5/12 0
O2H 7/12 .25 1/6
O3H 7/12 7/12 1/6
O1J 3/4 5/12 0
O2J 2/3 3/4 1/3
O3J 2/3 5/12 1/3
O1K 2/3 1/12 1/3
O2K 3/4 .25 1/2
O3K 3/4 1/12 0
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #54 based on stacking sequence ABACABCBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003076
19.595917 6 3.4641016 90 90. 90 Pc
atom x y z
SiA 1/48 7/12 5/6
SiB 1/16 11/12 1/2
Mg1a 1/8 7/12 1/6
Mg2a 1/8 .25 1/6
SiC 3/16 1/12 2/3
SiD 11/48 5/12 0
Mg1b 7/24 1/12 1/3
Mg2b 7/24 .25 5/6
SiE 17/48 7/12 5/6
SiF 19/48 11/12 1/2
Mg1c 11/24 5/12 0
Mg2c 11/24 .25 1/2
SiG 25/48 1/12 1/3
SiH 9/16 7/12 1/6
Mg1d 5/8 1/12 2/3
Mg2d 5/8 .25 1/6
SiJ 11/16 7/12 1/6
SiK 35/48 1/12 0
Mg1e 19/24 5/12 0
Mg2e 19/24 .25 1/2
SiL 41/48 1/12 2/3
SiM 43/48 5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24 .25 5/6
O1A 1/12 7/12 5/6
O2A 0 3/4 0
O3A 0 5/12 0
O1B 0 1/12 0
O2B 1/12 .25 5/6
O3B 1/12 1/12 1/3
O1C .25 1/12 2/3
O2C 1/6 .25 1/2
O3C 1/6 1/12 0
O1D 1/6 5/12 0
O2D .25 .25 1/6
O3D .25 7/12 1/6
O1E 5/12 5/12 1/3
O2E 1/3 .25 1/2
O3E 1/3 7/12 1/2
O1F 1/3 1/12 0
O2F 5/12 .25 5/6
O3F 5/12 1/12 1/3
O1G 7/12 1/12 1/3
O2G 1/2 .25 1/6
O3G 1/2 1/12 2/3
O1H 1/2 7/12 1/6
O2H 7/12 3/4 1/3
O3H 7/12 5/12 1/3
O1J 3/4 5/12 2/3
O2J 2/3 3/4 0
O3J 2/3 5/12 0
O1K 2/3 1/12 0
O2K 3/4 .25 1/6
O3K 3/4 1/12 2/3
O1L 11/12 1/12 2/3
O2L 5/6 .25 5/6
O3L 5/6 1/12 1/3
O1M 5/6 5/12 1/3
O2M 11/12 .25 1/6
O3M 11/12 7/12 1/6
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 240 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003471
7.394 6 3.464 90 117.9 90 C2/c
atom x y z
Mg1 0 11/12 1/4
Mg2 0 .25 1/4
Si 5/16 1/12 19/48
O1 1/8 1/12 5/24
O2 3/8 .25 7/24
O3 3/8 11/12 7/24
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 220 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003472
7.565 6.510 3.759 90 115.8 90 C2/c
atom x y z
Mg1 0 11/12 1/4
Mg2 0 .25 1/4
Si .3100 1/12 .3551
O1 .1301 1/12 .1974
O2 .3699 .25 .3026
O3 .3699 -.0525 .2101
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 200 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003473
7.608 6.823 3.939 90 113.4 90 C2/c
atom x y z
Mg1 0 11/12 1/4
Mg2 0 .25 1/4
Si .3085 1/12 .3204
O1 .1330 1/12 .1856
O2 .3670 .25 .3144
O3 .3670 -.0255 .1408
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 180 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003474
7.526 6.928 4 90 110.8 90 C2/c
atom x y z
Mg1 0 11/12 1/4
Mg2 0 .25 1/4
Si .3080 1/12 .2887
O1 .1340 1/12 .1726
O2 .3660 .25 .3274
O3 .3660 0 .0774
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 160 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003475
7.326 6.823 3.939 90 107.7 90 C2/c
atom x y z
Mg1 0 11/12 1/4
Mg2 0 .25 1/4
Si .3085 1/12 .2576
O1 .1330 1/12 .1585
O2 .3670 .25 .3415
O3 .3670 .0255 .0152
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 140 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003476
7.023 6.510 3.759 90 104.1 90 C2/c
atom x y z
Mg1 0 11/12 1/4
Mg2 0 .25 1/4
Si .3100 1/12 .2248
O1 .1301 1/12 .1427
O2 .3699 .25 .3573
O3 .3699 .0525 .9497
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 120 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003477
6.6332 6 3.464 90 100.0 90 C2/c
atom x y z
Mg1 0 11/12 1/4
Mg2 0 .25 1/4
Si 5/16 1/12 3/16
O1 1/8 1/12 1/8
O2 3/8 .25 3/8
O3 3/8 1/12 7/8
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model diopside after Cameron et al. (1973)
with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.318
_database_code_amcsd 0003478
9.756 9.067 5.235 90 108.7 90 C2/c
atom x y z
Mg 0 11/12 1/4
Ca 0 .25 1/4
Si .3082 1/12 .2676
O1 .1335 1/12 .1632
O2 .3665 .25 .3368
O3 .3665 .0172 .0352
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model diopside at 1000C after Cameron et al. (1973)
with O3-O3-O3 angle = 168.5 and model oxygen radius = 1.330
_database_code_amcsd 0003479
9.876 9.170 5.294 90 109.0 90 C2/c
atom x y z
Mg 0 11/12 1/4
Ca 0 .25 1/4
Si .3082 1/12 .2709
O1 .1337 1/12 .1647
O2 .3663 .25 .3353
O3 .3663 .0145 .0419
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model diopside after Levien and Prewitt (1981)
with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.319
_database_code_amcsd 0003480
9.760 9.071 5.237 90 108.7 90 C2/c
atom x y z
Mg 0 11/12 1/4
Ca 0 .25 1/4
Si .3082 1/12 .2676
O1 .1335 1/12 .1631
O2 .3664 .25 .3369
O3 .3664 .0172 .0351
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model diopside at 5.3 GPa after Levien and Prewitt (1981)
with O3-O3-O3 angle = 163.6 and model oxygen radius = 1.304
_database_code_amcsd 0003481
9.607 8.939 5.161 90 108.3 90 C2/c
atom x y z
Mg 0 11/12 1/4
Ca 0 .25 1/4
Si .3083 1/12 .2632
O1 .1333 1/12 .1611
O2 .3667 .25 .3389
O3 .3667 .0208 .0264
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model ferrosilite at 1.87 GPa after Hugh-Jones et al. (1995)
with O3-O3-O3 angle = 138.3 and model oxygen radius = 1.366
_database_code_amcsd 0003482
9.552 8.844 5.106 90 103.8 90 C2/c
atom x y z
Fe 0 11/12 1/4
Fe 0 .25 1/4
Si .3101 1/12 .2219
O1 .1298 1/12 .1413
O2 .3702 .25 .3587
O3 .3702 .0550 .9438
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model kosmochlor after Cameron et al. (1973)
with O3-O3-O3 angle = 172.0 and model oxygen radius = 1.294
_database_code_amcsd 0003483
9.653 8.944 5.164 90 109.6 90 C2/c
atom x y z
Cr 0 11/12 1/4
Na 0 .25 1/4
Si .3081 1/12 .2763
O1 .1338 1/12 .1672
O2 .3662 .25 .3328
O3 .3662 .0100 .0527
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model kosmochlor at 600C after Cameron et al. (1973)
with O3-O3-O3 angle = 172.9 and model oxygen radius = 1.299
_database_code_amcsd 0003484
9.697 8.980 5.184 90 109.7 90 C2/c
atom x y z
Cr 0 11/12 1/4
Na 0 .25 1/4
Si .3081 1/12 .2776
O1 .1339 1/12 .1677
O2 .3661 .25 .3323
O3 .3661 .0090 .0552
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model kosmochlor after Origlieri et al. (2003)
with O3-O3-O3 angle = 172.8 and model oxygen radius = 1.292
_database_code_amcsd 0003485
9.650 8.937 5.160 90 109.7 90 C2/c
atom x y z
Cr 0 11/12 1/4
Na 0 .25 1/4
Si .3081 1/12 .2775
O1 .1339 1/12 .1677
O2 .3661 .25 .3323
O3 .3661 .0091 .0550
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model kosmochlor at 9.28 GPa after Origlieri et al. (2003)
with O3-O3-O3 angle = 166.1 and model oxygen radius = 1.271
_database_code_amcsd 0003486
9.401 8.738 5.045 90 108.7 90 C2/c
atom x y z
Cr 0 11/12 1/4
Na 0 .25 1/4
Si .3082 1/12 .2672
O1 .1335 1/12 .1630
O2 .3665 .25 .3370
O3 .3665 .0180 .0343
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model spodumene after Cameron et al. (1973)
with O3-O3-O3 angle = 189.5 and model oxygen radius = 1.263
_database_code_amcsd 0003487
9.570 8.717 5.033 90 112.1 90 C2/c
atom x y z
Al 0 11/12 1/4
Li 0 .25 1/4
Si .3081 1/12 .3035
O1 .1337 1/12 .1789
O2 .3662 .25 .3211
O3 .3662 -.0120 .1070
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model spodumene at 760C after Cameron et al. (1973)
with O3-O3-O3 angle = 186.6 and model oxygen radius = 1.267
_database_code_amcsd 0003488
9.589 8.766 5.061 90 111.7 90 C2/c
atom x y z
Al 0 11/12 1/4
Li 0 .25 1/4
Si .3081 1/12 .2989
O1 .1339 1/12 .1770
O2 .3661 .25 .3230
O3 .3661 -.0083 .0979
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Pyroxene-ideal
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model spodumene after Arlt and Angel (2003)
with O3-O3-O3 angle = 189.9 and model oxygen radius = 1.263
_database_code_amcsd 0003489
9.572 8.715 5.032 90 112.1 90 C2/c
atom x y z
Al 0 11/12 1/4
Li 0 .25 1/4
Si .3081 1/12 .3041
O1 .1337 1/12 .1792
O2 .3663 .25 .3208
O3 .3663 -.0124 .1082
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