Clinopyroxene
Peacor D R
American Mineralogist 52 (1967) 31-41
Refinement of the crystal structure of a pyroxene of formula M1M2(Si1.5Al0.5)O6
_database_code_amcsd 0000153
9.794 8.906 5.319 90 105.90 90 C2/c
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 0 .0932 .75 .57 .0018 .0010 .0048 0 -.0008 0
Fe1 0 .0932 .75 .22 .0018 .0010 .0048 0 -.0008 0
Al1 0 .0932 .75 .14 .0018 .0010 .0048 0 -.0008 0
Ti1 0 .0932 .75 .07 .0018 .0010 .0048 0 -.0008 0
Ca2 0 .6957 .75 .98 .0024 .0012 .0059 0 -.0004 0
Mn2 0 .6957 .75 .01 .0024 .0012 .0059 0 -.0004 0
Na2 0 .6957 .75 .01 .0024 .0012 .0059 0 -.0004 0
Si .2129 .4072 .7728 .75 .0005 .0006 .0031 .0000 -.0001 .0000
Al .2129 .4072 .7728 .25 .0005 .0006 .0031 .0000 -.0001 .0000
O1 .3870 .4122 .8623 .0010 .0010 .0046 -.0004 -.0003 .0005
O2 .1379 .2454 .6811 .0018 .0017 .0081 -.0007 -.0013 .0011
O3 .1482 .4811 .0083 .0008 .0019 .0074 -.0003 -.0004 .0007
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Clinopyroxene
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H
American Mineralogist 85 (2000) 1485-1491
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene
(C2/c) up to 8.2 GPa
Sample at P = 0 GPa
_database_code_amcsd 0002569
9.798 9.140 5.205 90 101.80 90 C2/c
atom x y z Biso
Fe1 0 .9076 .25 .56
Fe2 0 .2709 .25 .54
Ge .3006 .0925 .2161 .362
O1 .1186 .0899 .1388 .54
O2 .3840 .2402 .3833 .58
O3 .3583 .0647 .9161 .58
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Clinopyroxene
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H
American Mineralogist 85 (2000) 1485-1491
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene
(C2/c) up to 8.2 GPa
Sample at P = 1.5 GPa
_database_code_amcsd 0002570
9.746 9.084 5.177 90 101.52 90 C2/c
atom x y z Biso
Fe1 0 .9084 .25 1.48
Fe2 0 .2715 .25 1.45
Ge .3011 .0927 .2155 1.38
O1 .1193 .0891 .1366 1.52
O2 .3875 .2418 .3845 1.87
O3 .3601 .0661 .9127 1.57
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Clinopyroxene
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H
American Mineralogist 85 (2000) 1485-1491
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene
(C2/c) up to 8.2 GPa
Sample at P = 4.5 GPa
_database_code_amcsd 0002571
9.651 8.988 5.136 90 100.97 90 C2/c
atom x y z Biso
Fe1 0 .9101 .25 1.43
Fe2 0 .2723 .25 1.38
Ge .3015 .0936 .2145 1.27
O1 .1181 .0910 .1350 1.37
O2 .3860 .2440 .3879 1.47
O3 .3645 .0657 .9134 1.44
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Clinopyroxene
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H
American Mineralogist 85 (2000) 1485-1491
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene
(C2/c) up to 8.2 GPa
Sample at P = 7.4 GPa
_database_code_amcsd 0002572
9.600 8.912 5.108 90 100.67 90 C2/c
atom x y z Biso
Fe1 0 .9111 .25 1.49
Fe2 0 .2727 .25 1.48
Ge .3023 .0941 .2138 1.41
O1 .1193 .0910 .1360 1.39
O2 .3806 .2465 .3867 1.67
O3 .3654 .0656 .9098 1.63
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Clinopyroxene
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H
American Mineralogist 85 (2000) 1485-1491
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene
(C2/c) up to 8.2 GPa
Sample at P = 8.2 GPa
_database_code_amcsd 0002573
9.583 8.883 5.093 90 100.56 90 C2/c
atom x y z Biso
Fe1 0 .9115 .25 1.32
Fe2 0 .2728 .25 1.26
Ge .3022 .0943 .2136 1.27
O1 .1197 .0898 .1340 1.49
O2 .3820 .2463 .3848 1.63
O3 .3629 .0680 .9081 1.37
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Clinopyroxene
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H
American Mineralogist 85 (2000) 1485-1491
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene
(C2/c) up to 8.2 GPa
Sample: Ideal pyroxene structure
_database_code_amcsd 0002574
9.287 8.400 4.850 90 100.025 90 C2/c
atom x y z
Fe1 0 11/12 .25
Fe2 0 .25 .25
Ge 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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