Dolomite
Steinfink H, Sans F J
American Mineralogist 44 (1959) 679-682
Refinement of the crystal structure of dolomite
_database_code_amcsd 0000086
4.815 4.815 16.119 90 90 120 R-3
atom x y z Biso
Ca 0 0 0 .37
Mg 0 0 .5 .20
C 0 0 .2435 .62
O .2374 -.0347 .2440 .59
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Dolomite
Graf D L
American Mineralogist 46 (1961) 1283-1316
Crystallographic tables for the rhombohedral carbonates
Locality: model
_database_code_amcsd 0000108
4.8079 4.8079 16.010 90 90 120 R-3
atom x y z
Ca 0 0 0
Mg 0 0 .5
C 0 0 .2435
O .2374 -.0347 .2440
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Dolomite
Althoff P L
American Mineralogist 62 (1977) 772-783
Structural refinements of dolomite and a magnesian calcite and implications for
dolomite formation in the marine environment
_database_code_amcsd 0000584
4.8033 4.8033 15.984 90 90 120 R-3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 0.0055 .0055 .00038 .00275 0 0
Mg 0 0 .5 0.0041 .0041 .00040 .00205 0 0
C 0 0 -.2423 0.0050 .0050 .00010 .00250 0 0
O .2829 .035 -.2440 0.0041 .0100 .00080 .00410 -.0003 -.0009
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Dolomite
Reeder R J, Wenk H R
American Mineralogist 68 (1983) 769-776
Structure refinements of some thermally disordered dolomites
sample EU
_database_code_amcsd 0000904
4.8038 4.8038 16.006 90 90 120 R-3
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1 0 0 0 .999 .00985 .00985 .00060 .004925 0 0
Mg1 0 0 0 .001 .00985 .00985 .00060 .004925 0 0
Ca2 0 0 .5 .002 .00724 .00724 .00056 .00362 0 0
Mg2 0 0 .5 .998 .00724 .00724 .00056 .00362 0 0
C 0 0 .24266 .00801 .00801 .00059 .004005 0 0
O .24762 -.03535 .24406 .00839 .01400 .00107 .00628 -.00034 -.00094
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Dolomite
Reeder R J, Wenk H R
American Mineralogist 68 (1983) 769-776
Structure refinements of some thermally disordered dolomites
sample DO - 1050
_database_code_amcsd 0000905
4.805 4.805 16.015 90 90 120 R-3
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1 0 0 0 .926 .01620 .01620 .00106 .00810 0 0
Mg1 0 0 0 .074 .01620 .01620 .00106 .00810 0 0
Ca2 0 0 .5 .076 .01438 .01438 .00110 .00719 0 0
Mg2 0 0 .5 .924 .01439 .01439 .00110 .00719 0 0
C 0 0 .2436 .01439 .01439 .00102 .00719 0 0
O .2483 -.0309 .24475 .01682 .02182 .00165 .01061 -.00048 -.00035
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Dolomite
Reeder R J, Wenk H R
American Mineralogist 68 (1983) 769-776
Structure refinements of some thermally disordered dolomites
sample DO - 1100
_database_code_amcsd 0000906
4.805 4.805 16.022 90 90 120 R-3
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1 0 0 0 .877 .01414 .01414 .00101 .00707 0 0
Mg1 0 0 0 .123 .01414 .01414 .00101 .00707 0 0
Ca2 0 0 .5 .124 .01176 .01176 .00104 .00588 0 0
Mg2 0 0 .5 .876 .01175 .01176 .00104 .00588 0 0
C 0 0 .2442 .01594 .01594 .00092 .00797 0 0
O .2516 -.0277 .24514 .01731 .02555 .00178 .01305 -.00011 -.00012
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Dolomite
Reeder R J, Markgraf S A
American Mineralogist 71 (1986) 795-804
High-temperature crystal chemistry of dolomite
Sample: Anisotropic refinement, Temperature = 24 deg C
_database_code_amcsd 0001026
4.8069 4.8069 16.002 90 90 120 R-3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 .0111 .0111 .00076 .00555 0 0
Mg 0 0 .5 .0081 .0081 .00074 .00405 0 0
C 0 0 .24289 .0098 .0098 .00069 .0049 0 0
O .2480 -.0354 .24393 .0107 .0148 .00118 .0083 -.00059 -.00098
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Dolomite
Reeder R J, Markgraf S A
American Mineralogist 71 (1986) 795-804
High-temperature crystal chemistry of dolomite
Sample: Anisotropic refinement, Temperature = 200 deg C
_database_code_amcsd 0001027
4.8104 4.8104 16.055 90 90 120 R-3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 .0158 .0158 .00102 .0079 0 0
Mg 0 0 .5 .0114 .0114 .00100 .0057 0 0
C 0 0 .24295 .0126 .0126 .00089 .0063 0 0
O .2470 -.0361 .24401 .0148 .0205 .00161 .0117 -.00094 -.00146
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Dolomite
Reeder R J, Markgraf S A
American Mineralogist 71 (1986) 795-804
High-temperature crystal chemistry of dolomite
Sample: Anisotropic refinement, Temperature = 400 deg C
_database_code_amcsd 0001028
4.8162 4.8162 16.132 90 90 120 R-3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 .0225 .0225 .00144 .01125 0 0
Mg 0 0 .5 .0162 .0162 .00143 .0081 0 0
C 0 0 .24305 .0173 .0173 .00118 .00865 0 0
O .2457 -.0368 .24416 .0208 .0284 .00230 .0162 -.00139 -.00220
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Dolomite
Reeder R J, Markgraf S A
American Mineralogist 71 (1986) 795-804
High-temperature crystal chemistry of dolomite
Sample: Anisotropic refinement, Temperature = 600 deg C
_database_code_amcsd 0001029
4.8228 4.8228 16.227 90 90 120 R-3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 .0303 .0303 .00198 .01515 0 0
Mg 0 0 .5 .0220 .0220 .00193 .0110 0 0
C 0 0 .24328 .0220 .0220 .00165 .0110 0 0
O .2447 -.0374 .24430 .0278 .0380 .00315 .0217 -.00193 -.00293
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Dolomite
Reeder R J, Markgraf S A
American Mineralogist 71 (1986) 795-804
High-temperature crystal chemistry of dolomite
Sample: Rigid-body refinement, Temperature = 24 deg C
_database_code_amcsd 0001030
4.8069 4.8069 16.002 90 90 120 R-3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 .0110 .0110 .00076 .0055 0 0
Mg 0 0 .5 .0080 .0080 .00073 .0040 0 0
C 0 0 .24293 .0084 .0084 .00074 .0042 0 0
O .2479 -.0355 .24392 .0107 .0148 .00117 .0080 -.00057 -.00096
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Dolomite
Reeder R J, Markgraf S A
American Mineralogist 71 (1986) 795-804
High-temperature crystal chemistry of dolomite
Sample: Rigid-body refinement, Temperature = 200 deg C
_database_code_amcsd 0001031
4.8104 4.8104 16.055 90 90 120 R-3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 .0157 .0157 .00102 .00785 0 0
Mg 0 0 .5 .0113 .0113 .00100 .00565 0 0
C 0 0 .24298 .01132 .01132 .00094 .00566 0 0
O .2469 -.0361 .24400 .0147 .0205 .00160 .0112 -.00092 -.00144
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Dolomite
Reeder R J, Markgraf S A
American Mineralogist 71 (1986) 795-804
High-temperature crystal chemistry of dolomite
Sample: Rigid-body refinement, Temperature = 400 deg C
_database_code_amcsd 0001032
4.8162 4.8162 16.132 90 90 120 R-3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 .0225 .0225 .00144 .01125 0 0
Mg 0 0 .5 .0161 .0161 .00143 .00805 0 0
C 0 0 .24305 .0158 .0158 .00124 .0079 0 0
O .2456 -.0369 .24415 .0205 .0284 .00229 .0155 -.00136 -.00216
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Dolomite
Reeder R J, Markgraf S A
American Mineralogist 71 (1986) 795-804
High-temperature crystal chemistry of dolomite
Sample: Rigid-body refinement, Temperature = 600 deg C
_database_code_amcsd 0001033
4.8228 4.8228 16.227 90 90 120 R-3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 .0303 .0303 .00198 .01515 0 0
Mg 0 0 .5 .0219 .0219 .00194 .01095 0 0
C 0 0 .24327 .0207 .0207 .00171 .01035 0 0
O .2446 -.0374 .24430 .0272 .0379 .00313 .0208 -.00188 -.00288
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Dolomite
Miser D E, Swinnea J S, Steinfink H
American Mineralogist 72 (1987) 188-193
TEM observations and X-ray crystal-structure refinement of a twinned dolomite
with a modulated microstructure
_database_code_amcsd 0001065
4.811 4.811 16.047 90 90 120 R-3
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca 0 0 0 .0108 .0108 .0113 .0054 0 0
Mg 0 0 .5 .0069 .0069 .0098 .00345 0 0
C 0 0 .2430 .0099 .0099 .0080 .00495 0 0
O .2476 .9650 .2441 .0096 .0140 .0167 .0072 -.0023 -.0030
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Dolomite
Reeder R J, Dollase W A
American Mineralogist 74 (1989) 1159-1167
Structural variation in the dolomite-ankerite solid-solution series: An X-ray,
Mossbauer, and TEM study
sample BM 1931-294
_database_code_amcsd 0001272
4.8116 4.8116 16.0421 90 90 120 R-3
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaA 0 0 0 .944 0.0099 0.0099 .00068 .00495 0 0
FeA 0 0 0 .056 0.0099 0.0099 .00068 .00495 0 0
MgB 0 0 .5 .769 0.0077 0.0077 .00068 .00385 0 0
FeB 0 0 .5 .178 0.0077 0.0077 .00068 .00385 0 0
CaB 0 0 .5 .053 0.0077 0.0077 .00068 .00385 0 0
C 0 0 .24300 0.0080 0.0080 .00069 .0040 0 0
O .2485 -.0336 .24426 0.0100 0.0141 .00114 .0080 -.00065 -.00099
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Dolomite
Ross N L, Reeder R J
American Mineralogist 77 (1992) 412-421
High-pressure structural study of dolomite and ankerite
P = 0.00 GPa
_database_code_amcsd 0001453
4.8064 4.8064 16.006 90 90 120 R-3
atom x y z Biso
CaA 0 0 0 0.71
MgB 0 0 .5 0.50
C 0 0 .2431 0.73
O .2482 -.0357 .2440 0.84
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Dolomite
Ross N L, Reeder R J
American Mineralogist 77 (1992) 412-421
High-pressure structural study of dolomite and ankerite
P = 1.50 GPa
_database_code_amcsd 0001454
4.7910 4.7910 15.856 90 90 120 R-3
atom x y z Biso
CaA 0 0 0 0.79
MgB 0 0 .5 0.46
C 0 0 .2434 0.87
O .2485 -.0355 .2443 0.93
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Dolomite
Ross N L, Reeder R J
American Mineralogist 77 (1992) 412-421
High-pressure structural study of dolomite and ankerite
P = 2.90 GPa
_database_code_amcsd 0001455
4.7777 4.7777 15.730 90 90 120 R-3
atom x y z Biso
CaA 0 0 0 0.88
MgB 0 0 .5 0.50
C 0 0 .2426 0.68
O .2488 -.0359 .2442 0.93
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Dolomite
Ross N L, Reeder R J
American Mineralogist 77 (1992) 412-421
High-pressure structural study of dolomite and ankerite
P = 3.70 GPa
_database_code_amcsd 0001456
4.7703 4.7703 15.653 90 90 120 R-3
atom x y z Biso
CaA 0 0 0 0.84
MgB 0 0 .5 0.42
C 0 0 .2416 0.47
O .2496 -.0359 .2443 0.79
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Dolomite
Ross N L, Reeder R J
American Mineralogist 77 (1992) 412-421
High-pressure structural study of dolomite and ankerite
P = 4.69 GPa
_database_code_amcsd 0001457
4.7636 4.7636 15.582 90 90 120 R-3
atom x y z Biso
CaA 0 0 0 0.76
MgB 0 0 .5 0.46
C 0 0 .2439 0.65
O .2496 -.0359 .2443 0.82
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 296 K
_database_code_amcsd 0003598
4.8072 4.8072 16.0048 90 90 120 R-3
atom x y z Uiso
Ca 0 0 0 .0378
Mg 0 0 .5 .0378
C 0 0 .2422 .038
O .2470 -.0380 .2430 .0483
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 630 K
_database_code_amcsd 0003599
4.7924 4.7924 15.8119 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .995 .0421
Mg 0 0 0 .005 .0421
Mg 0 0 .5 .995 .0421
Ca 0 0 .5 .005 .0421
C 0 0 .2309 .020
O .2518 -.0447 .2437 .0195
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 675 K
_database_code_amcsd 0003600
4.7918 4.7918 15.8283 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .991 .0442
Mg 0 0 0 .009 .0442
Mg 0 0 .5 .991 .0442
Ca 0 0 .5 .009 .0442
C 0 0 .2308 .028
O .2505 -.0453 .2437 .0217
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 809 K
_database_code_amcsd 0003601
4.7917 4.7917 15.8816 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .982 .0511
Mg 0 0 0 .018 .0511
Mg 0 0 .5 .982 .0511
Ca 0 0 .5 .018 .0511
C 0 0 .2288 .026
O .2478 -.0476 .2443 .0296
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 925 K
_database_code_amcsd 0003602
4.7925 4.7925 15.9312 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .971 .0579
Mg 0 0 0 .029 .0579
Mg 0 0 .5 .971 .0579
Ca 0 0 .5 .029 .0579
C 0 0 .2311 .023
O .2493 -.0472 .2438 .0377
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 999 K
_database_code_amcsd 0003603
4.7938 4.7938 15.9652 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .965 .0591
Mg 0 0 0 .035 .0591
Mg 0 0 .5 .965 .0591
Ca 0 0 .5 .035 .0591
C 0 0 .2314 .029
O .2513 -.0452 .2440 .0377
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1039 K
_database_code_amcsd 0003604
4.7941 4.7941 15.9868 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .975 .0612
Mg 0 0 0 .025 .0612
Mg 0 0 .5 .975 .0612
Ca 0 0 .5 .025 .0612
C 0 0 .2307 .026
O .2489 -.0477 .2440 .0398
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1074 K
_database_code_amcsd 0003605
4.7945 4.7945 16.0087 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .967 .0629
Mg 0 0 0 .033 .0629
Mg 0 0 .5 .967 .0629
Ca 0 0 .5 .033 .0629
C 0 0 .2303 .024
O .2506 -.0468 .2442 .0409
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1070 K
_database_code_amcsd 0003606
4.7942 4.7942 16.0061 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .971 .0628
Mg 0 0 0 .029 .0628
Mg 0 0 .5 .971 .0628
Ca 0 0 .5 .029 .0628
C 0 0 .2297 .025
O .2493 -.0471 .2442 .0396
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1106 K
_database_code_amcsd 0003607
4.7944 4.7944 16.0212 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .949 .0622
Mg 0 0 0 .051 .0622
Mg 0 0 .5 .949 .0622
Ca 0 0 .5 .051 .0622
C 0 0 .2314 .026
O .2476 -.0454 .2442 .0420
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1142 K
_database_code_amcsd 0003608
4.7956 4.7956 16.0405 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .938 .0602
Mg 0 0 0 .062 .0602
Mg 0 0 .5 .938 .0602
Ca 0 0 .5 .062 .0602
C 0 0 .2410 .067
O .2498 -.0367 .2457 .0567
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1171 K
_database_code_amcsd 0003609
4.7965 4.7965 16.0559 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .944 .0655
Mg 0 0 0 .056 .0655
Mg 0 0 .5 .944 .0655
Ca 0 0 .5 .056 .0655
C 0 0 .2300 .025
O .2471 -.0468 .2444 .0440
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1205 K
_database_code_amcsd 0003610
4.7985 4.7985 16.0815 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .923 .0915
Mg 0 0 0 .077 .0915
Mg 0 0 .5 .923 .0915
Ca 0 0 .5 .077 .0915
C 0 0 .2416 .121
O .2436 -.0386 .2463 .0861
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1234 K
_database_code_amcsd 0003611
4.8009 4.8009 16.1069 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .917 .1181
Mg 0 0 0 .083 .1181
Mg 0 0 .5 .917 .1181
Ca 0 0 .5 .083 .1181
C 0 0 .2548 .091
O .2374 -.0422 .2396 .1005
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1265 K
_database_code_amcsd 0003612
4.8039 4.8039 16.1397 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .9 .1376
Mg 0 0 0 .1 .1376
Mg 0 0 .5 .9 .1376
Ca 0 0 .5 .1 .1376
C 0 0 .2516 .079
O .2408 -.0431 .2404 .1126
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1292 K
_database_code_amcsd 0003613
4.8035 4.8035 16.1468 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .878 .1483
Mg 0 0 0 .122 .1483
Mg 0 0 .5 .878 .1483
Ca 0 0 .5 .122 .1483
C 0 0 .2564 .104
O .2365 -.0396 .2402 .1329
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1320 K
_database_code_amcsd 0003614
4.8055 4.8055 16.1791 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .872 .1317
Mg 0 0 0 .128 .1317
Mg 0 0 .5 .872 .1317
Ca 0 0 .5 .128 .1317
C 0 0 .2509 .071
O .2408 -.0407 .2408 .1114
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1346 K
_database_code_amcsd 0003615
4.8111 4.8111 16.2511 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .83 .1387
Mg 0 0 0 .17 .1387
Mg 0 0 .5 .83 .1387
Ca 0 0 .5 .17 .1387
C 0 0 .2554 .128
O .2385 -.0344 .2410 .1386
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1362 K
_database_code_amcsd 0003616
4.8084 4.8084 16.2802 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .865 .137
Mg 0 0 0 .135 .137
Mg 0 0 .5 .865 .137
Ca 0 0 .5 .135 .137
C 0 0 .2503 .112
O .2457 -.0357 .2394 .109
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1394 K
_database_code_amcsd 0003617
4.8090 4.8090 16.2621 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .832 .102
Mg 0 0 0 .168 .102
Mg 0 0 .5 .832 .102
Ca 0 0 .5 .168 .102
C 0 0 .2355 .121
O .2407 -.0350 .2431 .102
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1400 K
_database_code_amcsd 0003618
4.8089 4.8089 16.2901 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .772 .1204
Mg 0 0 0 .228 .1204
Mg 0 0 .5 .772 .1204
Ca 0 0 .5 .228 .1204
C 0 0 .2418 .207
O .2533 -.0347 .2439 .1618
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1443 K
_database_code_amcsd 0003619
4.8081 4.8081 16.2756 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .613 .179
Mg 0 0 0 .387 .179
Mg 0 0 .5 .613 .179
Ca 0 0 .5 .387 .179
C 0 0 .2394 .198
O .2424 -.0483 .2463 .1630
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Dolomite
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
American Mineralogist 89 (2004) 1142-1147
Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
aragonite+magnesite - dolomite reaction boundary
Sample: P = 3 GPa, T = 1466 K
_database_code_amcsd 0003620
4.8072 4.8072 16.3354 90 90 120 R-3
atom x y z occ Uiso
Ca 0 0 0 .562 .278
Mg 0 0 0 .438 .278
Mg 0 0 .5 .562 .278
Ca 0 0 .5 .438 .278
C 0 0 .246 .374
O .2384 -.0290 .2482 .246
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Dolomite
Drits V A, McCarty D K, Sakharov B, Milliken K L
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Lea County, New Mexico, USA
Sample: M236-116, Phase I
_database_code_amcsd 0006026
4.8140 4.8140 16.0411 90 90 120 R-3
atom x y z occ Biso
CaA 0 0 0 .89
MgB 0 0 .5 .92 .98
CaB 0 0 .5 .08 .98
C 0 0 .2432
O .2520 -.0324 .2440 1.00
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Dolomite
Drits V A, McCarty D K, Sakharov B, Milliken K L
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Lea County, New Mexico, USA
Sample: M236-116, Phase II
_database_code_amcsd 0006027
4.8274 4.8274 16.1374 90 90 120 R-3
atom x y z occ Biso
CaA 0 0 0 .89
MgB 0 0 .5 .83 .98
CaB 0 0 .5 .17 .98
C 0 0 .2438
O .2505 -.0338 .2451 1.00
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Dolomite
Drits V A, McCarty D K, Sakharov B, Milliken K L
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Lea County, New Mexico, USA
Sample: M236-098, Phase I
_database_code_amcsd 0006028
4.8141 4.8141 16.0392 90 90 120 R-3
atom x y z occ Biso
CaA 0 0 0 .84
MgB 0 0 .5 .93 .84
CaB 0 0 .5 .07 .84
C 0 0 .2436
O .2517 -.0327 .2434 .93
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Dolomite
Drits V A, McCarty D K, Sakharov B, Milliken K L
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Lea County, New Mexico, USA
Sample: M236-098, Phase II
_database_code_amcsd 0006029
4.8247 4.8247 16.1243 90 90 120 R-3
atom x y z occ Biso
CaA 0 0 0 .84
MgB 0 0 .5 .87 .84
CaB 0 0 .5 .13 .84
C 0 0 .2457
O .2493 -.03442 .2455 .93
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Dolomite
Drits V A, McCarty D K, Sakharov B, Milliken K L
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Coke County, Texas, USA
Sample: 821-545, Phase I
_database_code_amcsd 0006030
4.8114 4.8114 16.025 90 90 120 R-3
atom x y z occ Biso
CaA 0 0 0 .96
MgB 0 0 .5 .93 1.24
CaB 0 0 .5 .07 1.24
C 0 0 .2444
O .2502 -.0350 .2440 1.10
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Dolomite
Drits V A, McCarty D K, Sakharov B, Milliken K L
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Coke County, Texas, USA
Sample: 821-545, Phase II
_database_code_amcsd 0006031
4.8215 4.8215 16.111 90 90 120 R-3
atom x y z occ Biso
CaA 0 0 0 .96
MgB 0 0 .5 .86 1.25
CaB 0 0 .5 .14 1.25
C 0 0 .2426
O .2514 -.0305 .2444 1.10
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Dolomite
Drits V A, McCarty D K, Sakharov B, Milliken K L
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Sample: "Ankerite"
_database_code_amcsd 0006032
4.8170 4.8170 16.0794 90 90 120 R-3
atom x y z occ Biso
CaA 0 0 0 .89
MgB 0 0 .5 .67 .90
FeB 0 0 .5 .33 .90
C 0 0 .2430
O .2502 -.0329 .2442 .94
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Dolomite
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: Pberdorf, Styria, Austria
_database_code_amcsd 0020832
4.812 4.812 16.020 90 90 120 R-3
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca 0 0 0 .00846 .00846 .00804 .00423 0 0
Mg 0 0 .5 .94 .00414 .00414 .00582 .00207 0 0
Fe 0 0 .5 .05 .00414 .00414 .00582 .00207 0 0
Mn 0 0 .5 .01 .00414 .00414 .00582 .00207 0 0
C 0 0 .24287 .00655 .00655 .00763 .003275 0 0
O .24802 -.03471 .24401 .00782 .01130 .01359 .00634 -.00208 -.00324
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Dolomite
Beran A, Zemann J
Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 279-286
Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite
Locality: Oberdorf, Styria, Austria
_database_code_amcsd 0015666
4.812 4.812 16.020 90 90 120 R-3
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca 0 0 0 .00877 .00877 .00043 .004385 0 0
Mg 0 0 .5 .94 .00453 .00453 .00020 .002265 0 0
Fe 0 0 .5 .05 .00453 .00453 .00020 .002265 0 0
Mn 0 0 .5 .01 .00453 .00453 .00020 .002265 0 0
C 0 0 .2429 .00664 .00664 .00043 .00332 0 0
O .2485 -.0343 .2439 .00906 .01297 .00090 .00722 -.00065 -.00088
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