Magnesite
Graf D L
American Mineralogist 46 (1961) 1283-1316
Crystallographic tables for the rhombohedral carbonates
Locality: synthetic
_database_code_amcsd 0000099
4.6330 4.6330 15.016 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .2776 0 .25
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Magnesite
Oh K D, Morikawa H, Iwai S I, Aoki H
American Mineralogist 58 (1973) 1029-1033
The crystal structure of magnesite
_database_code_amcsd 0000389
4.637 4.637 15.023 90 90 120 R-3c
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg 0 0 0 .0063 .0063 .00060 .00315 0 0
C 0 0 .25 .0072 .0072 .00052 .0036 0 0
O .2767 0 .25 .0059 .0091 .00083 .00455 -.000135 -.00027
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Magnesite
Markgraf S A, Reeder R J
American Mineralogist 70 (1985) 590-600
High-temperature structure refinements of calcite and magnesite
Sample: T = 24 C
_database_code_amcsd 0000990
4.635 4.635 15.019 90 90 120 R-3c
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg 0 0 0 .0059 .0059 .00056 .00295 0 0
C 0 0 .25 .0071 .0071 .0005 .00355 0 0
O .2778 0 .25 .0058 .0091 .00082 .00455 -.00015 -.0003
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Magnesite
Markgraf S A, Reeder R J
American Mineralogist 70 (1985) 590-600
High-temperature structure refinements of calcite and magnesite
Sample: T = 200 C
_database_code_amcsd 0000991
4.639 4.639 15.065 90 90 120 R-3c
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg 0 0 0 .0087 .0087 .00080 .00435 0 0
C 0 0 .25 .0089 .0089 .00065 .00445 0 0
O .2775 0 .25 .0081 .0121 .00109 .00605 -.0002 -.0004
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Magnesite
Markgraf S A, Reeder R J
American Mineralogist 70 (1985) 590-600
High-temperature structure refinements of calcite and magnesite
Sample: T = 300 C
_database_code_amcsd 0000992
4.642 4.642 15.096 90 90 120 R-3c
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg 0 0 0 .0107 .0107 .00099 .00535 0 0
C 0 0 .25 .0104 .0104 .00076 .0052 0 0
O .2772 0 .25 .0097 .0144 .00132 .0072 -.0003 -.0006
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Magnesite
Markgraf S A, Reeder R J
American Mineralogist 70 (1985) 590-600
High-temperature structure refinements of calcite and magnesite
Sample: T = 400 C
_database_code_amcsd 0000993
4.646 4.646 15.139 90 90 120 R-3c
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg 0 0 0 .0134 .0134 .00120 .0067 0 0
C 0 0 .25 .0121 .0121 .00090 .00605 0 0
O .2767 0 .25 .0122 .0175 .00160 .00875 -.00035 -.0007
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Magnesite
Markgraf S A, Reeder R J
American Mineralogist 70 (1985) 590-600
High-temperature structure refinements of calcite and magnesite
Sample: T = 500 C
_database_code_amcsd 0000994
4.650 4.650 15.186 90 90 120 R-3c
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg 0 0 0 .0158 .0158 .00154 .0079 0 0
C 0 0 .25 .01360 .01360 .00118 .00680 0 0
O .2764 0 .25 .0138 .0202 .00202 .0101 -.0004 -.0008
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Magnesite
Ross N L
American Mineralogist 82 (1997) 682-688
The equation of state and high-pressure behaviour of magnesite
Sample: at P = 0 GPa
_database_code_amcsd 0001905
4.6339 4.6339 15.0177 90 90 120 R-3c
atom x y z Biso
Mg 0 0 0 .40
C 0 0 .25 .36
O .2780 0 .25 .40
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Magnesite
Ross N L
American Mineralogist 82 (1997) 682-688
The equation of state and high-pressure behaviour of magnesite
Sample: at P = 2.26 GPa
_database_code_amcsd 0001906
4.6149 4.6149 14.867 90 90 120 R-3c
atom x y z Biso
Mg 0 0 0 .30
C 0 0 .25 .17
O .2800 0 .25 .38
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Magnesite
Ross N L
American Mineralogist 82 (1997) 682-688
The equation of state and high-pressure behaviour of magnesite
Sample: at P = 3.09 GPa
_database_code_amcsd 0001907
4.6068 4.6068 14.8170 90 90 120 R-3c
atom x y z Biso
Mg 0 0 0 .30
C 0 0 .25 .39
O .2790 0 .25 .40
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Magnesite
Ross N L
American Mineralogist 82 (1997) 682-688
The equation of state and high-pressure behaviour of magnesite
Sample: at P = 4.16 GPa
_database_code_amcsd 0001908
4.5988 4.5988 14.7525 90 90 120 R-3c
atom x y z Biso
Mg 0 0 0 .29
C 0 0 .25 .32
O .2803 0 .25 .37
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Magnesite
Ross N L
American Mineralogist 82 (1997) 682-688
The equation of state and high-pressure behaviour of magnesite
Sample: at P = 4.77 GPa
_database_code_amcsd 0001909
4.5937 4.5937 14.7157 90 90 120 R-3c
atom x y z Biso
Mg 0 0 0 .40
C 0 0 .25 .28
O .2799 0 .25 .43
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Magnesite
Ross N L
American Mineralogist 82 (1997) 682-688
The equation of state and high-pressure behaviour of magnesite
Sample: at P = 6.05 GPa
_database_code_amcsd 0001910
4.5812 4.5812 14.6302 90 90 120 R-3c
atom x y z Biso
Mg 0 0 0 .27
C 0 0 .25 .16
O .2800 0 .25 .35
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 23.1 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002899
4.4818 4.4818 13.9150 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .2848 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 29.9 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002900
4.4560 4.4560 13.7092 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .2926 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 41.3 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002901
4.4044 4.4044 13.3797 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .3014 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 45.6 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002902
4.3895 4.3895 13.2938 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .3032 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 51.8 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002903
4.3675 4.3675 13.1387 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .3073 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 56.6 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002904
4.3530 4.3530 13.0325 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .3066 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 60.2 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002905
4.3401 4.3401 12.9538 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .2967 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 70.7 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002906
4.3138 4.3138 12.7762 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .2919 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 71.2 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002907
4.3102 4.3102 12.7451 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .3020 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 75.7 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002908
4.2981 4.2981 12.6690 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .2970 0 .25
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Magnesite
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M
American Mineralogist 87 (2002) 1261-1265
Structural refinements of magnesite at very high pressure
Sample: P = 82.6 GPa
Locality: Bahia, Brazil
_database_code_amcsd 0002909
4.2783 4.2783 12.5461 90 90 120 R-3c
atom x y z
Mg 0 0 0
C 0 0 .25
O .2960 0 .25
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h
_database_code_amcsd 0004321
4.7821 4.7821 15.697 90 90 120 R-3
atom x y z occ Uiso
CdA 0 0 0 .686 .019
MgA 0 0 0 .314 .019
MgB 0 0 .5 .686 .019
CdB 0 0 .5 .314 .019
C 0 0 .245 .024
O .252 -.026 .254 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h
Sample: disordered at T = 600 C, t = 20 min
_database_code_amcsd 0004322
4.7822 4.7822 15.691 90 90 120 R-3
atom x y z occ Uiso
CdA 0 0 0 .645 .019
MgA 0 0 0 .355 .019
MgB 0 0 .5 .645 .019
CdB 0 0 .5 .355 .019
C 0 0 .240 .024
O .252 -.026 .249 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h
Sample: disordered at T = 600 C, t = 48 h
_database_code_amcsd 0004323
4.7819 4.7819 15.698 90 90 120 R-3
atom x y z occ Uiso
CdA 0 0 0 .629 .019
MgA 0 0 0 .371 .019
MgB 0 0 .5 .629 .019
CdB 0 0 .5 .371 .019
C 0 0 .239 .024
O .252 -.026 .249 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 3 h
_database_code_amcsd 0004329
4.7792 4.7792 15.6884 90 90 120 R-3
atom x y z occ Uiso
CdA 0 0 0 .595 .019
MgA 0 0 0 .405 .019
MgB 0 0 .5 .595 .019
CdB 0 0 .5 .405 .019
C 0 0 .244 .024
O .252 -.025 .254 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .6, synthesized at 600 C, 1 GPa, 3 h
_database_code_amcsd 0004330
4.7590 4.7590 15.5956 90 90 120 R-3
atom x y z occ Uiso
CdA 0 0 0 .488 .019
MgA 0 0 0 .512 .019
MgB 0 0 .5 .688 .019
CdB 0 0 .5 .312 .019
C 0 0 .243 .024
O .254 -.025 .255 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = 1, synthesized at 600 C, 1 GPa, 3 h
_database_code_amcsd 0004331
4.6338 4.6338 15.0192 90 90 120 R-3c
atom x y z Uiso
Mg 0 0 0 .026
C 0 0 .25 .021
O .279 0 .25 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 19 h
_database_code_amcsd 0004334
4.7813 4.7813 15.7023 90 90 120 R-3
atom x y z occ Uiso
CdA 0 0 0 .634 .019
MgA 0 0 0 .366 .019
MgB 0 0 .5 .634 .019
CdB 0 0 .5 .366 .019
C 0 0 .244 .024
O .252 -.026 .252 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .55, synthesized at 600 C, 1 GPa, 19 h
_database_code_amcsd 0004335
4.7752 4.7752 15.673 90 90 120 R-3
atom x y z occ Uiso
CdA 0 0 0 .552 .019
MgA 0 0 0 .448 .019
MgB 0 0 .5 .652 .019
CdB 0 0 .5 .348 .019
C 0 0 .244 .024
O .252 -.026 .255 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 96 h
_database_code_amcsd 0004336
4.7818 4.7818 15.7028 90 90 120 R-3
atom x y z occ Uiso
CdA 0 0 0 .638 .019
MgA 0 0 0 .362 .019
MgB 0 0 .5 .638 .019
CdB 0 0 .5 .362 .019
C 0 0 .243 .024
O .252 -.026 .252 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .5, synthesized at 650 C, 1 GPa, 120 h
_database_code_amcsd 0004337
4.7824 4.7824 15.7082 90 90 120 R-3
atom x y z occ Uiso
CdA 0 0 0 .629 .019
MgA 0 0 0 .371 .019
MgB 0 0 .5 .629 .019
CdB 0 0 .5 .371 .019
C 0 0 .249 .024
O .254 -.023 .255 .021
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .5, synthesized at 700 C, 1 GPa, 24 h
_database_code_amcsd 0004338
4.7820 4.7820 15.7028 90 90 120 R-3c
atom x y z occ Uiso
Mg 0 0 0 .5 .029
Cd 0 0 0 .5 .029
C 0 0 .25 .036
O .265 0 .25 .029
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .5, synthesized at 800 C, 1 GPa, 1 h
_database_code_amcsd 0004344
4.7788 4.7788 15.6968 90 90 120 R-3c
atom x y z occ Uiso
Cd 0 0 0 .5 .029
Mg 0 0 0 .5 .029
C 0 0 .25 .036
O .266 0 .25 .029
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .6, synthesized at 800 C, 1 GPa, 1 h
_database_code_amcsd 0004345
4.7510 4.7510 15.5745 90 90 120 R-3c
atom x y z occ Uiso
Cd 0 0 0 .4 .029
Mg 0 0 0 .6 .029
C 0 0 .25 .036
O .268 0 .25 .029
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = .9, synthesized at 800 C, 1 GPa, 1 h
_database_code_amcsd 0004346
4.6638 4.6638 15.1720 90 90 120 R-3c
atom x y z occ Uiso
Cd 0 0 0 .1 .029
Mg 0 0 0 .9 .029
C 0 0 .25 .036
O .276 0 .25 .029
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Magnesite
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F
American Mineralogist 92 (2007) 829-836
Order and miscibility in the otavite - magnesite solid solution
Locality: synthetic
Sample: X_Mg = 1, synthesized at 800 C, 1 GPa, 1 h
_database_code_amcsd 0004347
4.6334 4.6334 15.0178 90 90 120 R-3c
atom x y z Uiso
Mg 0 0 0 .028
C 0 0 .25 .022
O .279 0 .25 .023
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Magnesite
Liang W, Li Z, Yin Y, Li R, Chen L, He Y, Dong H, Dai L, Li H
Physics and Chemistry of Minerals 45 (2018) 423-434
Single crystal growth, characterization and high-pressure
Raman spectroscopy of impurity-free magnesite (MgCO3)
Locality: synthetic
_database_code_amcsd 0021223
4.6255 4.6255 14.987 90 90 120 R-3c
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg 0 0 0 .0058 .0058 .0067 .00289 0 0
C 0 0 .25 .0059 .0059 .0047 .0030 0 0
O .27772 0 .25 .0054 .0079 .0090 .00393 -.00058 -.00115
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Magnesite
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N
Acta Crystallographica B51 (1995) 929-939
Electron density and optical anisotropy in rhombohedral carbonates.
III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3
_database_code_amcsd 0009893
4.632 4.632 15.002 90 90 120 R-3c
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg 0 0 0 .00623 .00623 .0075 .003115 0 0
C 0 0 .25 .0056 .0056 .0059 .0028 0 0
O .27748 0 .25 .00548 .0077 .0096 .00385 -.00057 -.00114
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Magnesite
Effenberger H, Mereiter K, Zemann J
Zeitschrift fur Kristallographie 156 (1981) 233-243
Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite,
smithsonite, and dolomite, with discussion of some aspects of the
stereochemistry of calcite type carbonates
Locality: Oberdorf, Styria, Austria
_database_code_amcsd 0020836
4.6328 4.6328 15.0129 90 90 120 R-3c
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg 0 0 0 .99 .00532 .00532 .00617 .00266 0 0
Fe 0 0 0 .01 .00532 .00532 .00617 .00266 0 0
C 0 0 .25 .00471 .00471 .00519 .002355 0 0
O .27740 0 .25 .00486 .00710 .00834 .00355 -.00058 -.00116
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