Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
T = 24 C
_database_code_amcsd 0000925
5.0884 5.0884 14.0855 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35537 0.582
Ti 0 0 .14640 0.458
O .31743 .02332 .24506 0.580
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Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
T = 400 C
_database_code_amcsd 0000926
5.108 5.108 14.1287 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35605 1.17
Ti 0 0 .14676 0.87
O .31796 .02432 .24479 1.06
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Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
T = 600 C
_database_code_amcsd 0000927
5.1182 5.1182 14.1566 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35650 1.51
Ti 0 0 .14696 1.10
O .31864 .02438 .24479 1.31
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Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
T = 800 C
_database_code_amcsd 0000928
5.128 5.128 14.187 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35689 1.86
Ti 0 0 .14722 1.32
O .31919 .02499 .24496 1.65
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Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
T = 1050 C
_database_code_amcsd 0000929
5.1412 5.1412 14.225 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35732 2.37
Ti 0 0 .14748 1.61
O .31867 .02491 .24475 1.99
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Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
room temperature after heating
_database_code_amcsd 0000930
5.0889 5.0889 14.0933 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35542 0.57
Ti 0 0 .14645 0.47
O .31745 .02345 .24485 0.58
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Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
P = 1 atm
_database_code_amcsd 0000931
5.0875 5.0875 14.0827 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35540 0.625
Ti 0 0 .14638 0.505
O .31719 .02340 .24502 0.620
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Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
P = 25.4 kbar
_database_code_amcsd 0000932
5.0691 5.0691 13.9849 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35562 0.68
Ti 0 0 .14637 0.53
O .31596 .02301 .24537 0.61
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Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
P = 34.6 kbar
_database_code_amcsd 0000933
5.0635 5.0635 13.9518 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35530 0.63
Ti 0 0 .14650 0.50
O .31657 .02284 .24520 0.63
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Ilmenite
Wechsler B A, Prewitt C T
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
P = 46.1 kbar
_database_code_amcsd 0000934
5.0561 5.0561 13.9115 90 90 120 R-3
atom x y z Biso
Fe 0 0 .35580 0.63
Ti 0 0 .14644 0.52
O .31649 .02165 .24545 0.65
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 203 C
_database_code_amcsd 0008559
5.07894 5.07894 13.9269 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35510 .820 .01125
TiA 0 0 .35510 .180 .01125
FeB 0 0 .14315 .580 .01125
TiB 0 0 .14315 .420 .01125
O .3122 .0109 .2481 .00994
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 298 C
_database_code_amcsd 0008560
5.08450 5.08450 13.9353 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35526 .816 .01222
TiA 0 0 .35526 .184 .01222
FeB 0 0 .14323 .584 .01222
TiB 0 0 .14323 .416 .01222
O .3120 .0110 .2481 .01097
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 399 C
_database_code_amcsd 0008561
5.09101 5.09101 13.9543 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35554 .834 .0153
TiA 0 0 .35554 .166 .0153
FeB 0 0 .14257 .566 .0153
TiB 0 0 .14257 .434 .0153
O .3118 .0112 .2477 .0130
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 498 C
_database_code_amcsd 0008562
5.09641 5.09641 13.9695 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35561 .873 .0172
TiA 0 0 .35561 .127 .0172
FeB 0 0 .14129 .527 .0172
TiB 0 0 .14129 .473 .0172
O .3117 .0116 .2472 .0149
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 506 C
_database_code_amcsd 0008563
5.09689 5.09689 13.9709 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35564 .895 .0169
TiA 0 0 .35564 .105 .0169
FeB 0 0 .14116 .505 .0169
TiB 0 0 .14116 .495 .0169
O .3112 .0109 .2470 .0156
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 549 C
_database_code_amcsd 0008564
5.10042 5.10042 13.9775 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35539 .903 .0179
TiA 0 0 .35539 .097 .0179
FeB 0 0 .14073 .497 .0179
TiB 0 0 .14073 .503 .0179
O .3113 .0106 .2471 .0167
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 598 C
_database_code_amcsd 0008565
5.10401 5.10401 13.9829 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35567 .911 .0182
TiA 0 0 .35567 .089 .0182
FeB 0 0 .14134 .489 .0182
TiB 0 0 .14134 .511 .0182
O .3115 .0104 .2472 .0179
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 647 C
_database_code_amcsd 0008566
5.10777 5.10777 13.9886 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35544 .908 .0189
TiA 0 0 .35544 .092 .0189
FeB 0 0 .14074 .492 .0189
TiB 0 0 .14074 .508 .0189
O .3114 .0101 .2472 .0188
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 697 C
_database_code_amcsd 0008567
5.11145 5.11145 13.9938 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35558 .892 .0201
TiA 0 0 .35558 .108 .0201
FeB 0 0 .14105 .508 .0201
TiB 0 0 .14105 .492 .0201
O .3114 .0096 .2476 .0202
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 721 C
_database_code_amcsd 0008568
5.11310 5.11310 13.9964 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35566 .877 .0208
TiA 0 0 .35566 .123 .0208
FeB 0 0 .14131 .523 .0208
TiB 0 0 .14131 .477 .0208
O .3111 .0089 .2475 .0209
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 745 C
_database_code_amcsd 0008569
5.11492 5.11492 13.9982 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35575 .861 .0216
TiA 0 0 .35575 .139 .0216
FeB 0 0 .14154 .539 .0216
TiB 0 0 .14154 .461 .0216
O .3111 .0090 .2479 .0212
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 769 C
_database_code_amcsd 0008570
5.11667 5.11667 14.0008 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35593 .839 .0217
TiA 0 0 .35593 .161 .0217
FeB 0 0 .14202 .561 .0217
TiB 0 0 .14202 .439 .0217
O .3105 .0077 .2480 .0214
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 793 C
_database_code_amcsd 0008571
5.11842 5.11842 14.0031 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35560 .808 .0225
TiA 0 0 .35560 .192 .0225
FeB 0 0 .14160 .592 .0225
TiB 0 0 .14160 .408 .0225
O .3103 .0071 .2484 .0222
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 818 C
_database_code_amcsd 0008572
5.12049 5.12049 14.0057 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .35678 .700 .0293
Ti 0 0 .35678 .300 .0293
O .3066 0 .25 .0291
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 844 C
_database_code_amcsd 0008573
5.12187 5.12187 14.0077 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .35676 .700 .0235
Ti 0 0 .35676 .300 .0235
O .3061 0 .25 .0230
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 921 C
_database_code_amcsd 0008574
5.12710 5.12710 14.0198 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .35693 .700 .0252
Ti 0 0 .35693 .300 .0252
O .3062 0 .25 .0242
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 999 C
_database_code_amcsd 0008575
5.13219 5.13219 14.0326 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .35698 .700 .0265
Ti 0 0 .35698 .300 .0265
O .3059 0 .25 .0252
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 795 C
_database_code_amcsd 0008576
5.11880 5.11880 14.0020 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35550 .802 .0270
TiA 0 0 .35550 .198 .0270
FeB 0 0 .14140 .598 .0270
TiB 0 0 .14140 .402 .0270
O .3101 .0071 .2482 .0268
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 594 C
_database_code_amcsd 0008577
5.10615 5.10615 13.9817 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35552 .935 .02177
TiA 0 0 .35552 .065 .02177
FeB 0 0 .14078 .465 .02177
TiB 0 0 .14078 .535 .02177
O .3116 .0103 .2473 .02264
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 392 C
_database_code_amcsd 0008578
5.09407 5.09407 13.9592 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35525 .965 .01753
TiA 0 0 .35525 .035 .01753
FeB 0 0 .14056 .435 .01753
TiB 0 0 .14056 .565 .01753
O .3123 .0119 .2473 .01807
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm60, T = 203 C
_database_code_amcsd 0008579
5.08205 5.08205 13.9390 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35505 .972 .01406
TiA 0 0 .35505 .028 .01406
FeB 0 0 .14086 .428 .01406
TiB 0 0 .14086 .572 .01406
O .3126 .0124 .2472 .01500
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 209 C
_database_code_amcsd 0008580
5.08175 5.08175 13.9383 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35479 .891 .0113
TiA 0 0 .35479 .109 .0113
FeB 0 0 .14073 .459 .0113
TiB 0 0 .14073 .541 .0113
O .3128 .0132 .2472 .0101
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 301 C
_database_code_amcsd 0008581
5.08755 5.08755 13.9485 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35485 .889 .0129
TiA 0 0 .35485 .111 .0129
FeB 0 0 .14040 .461 .0129
TiB 0 0 .14040 .539 .0129
O .3127 .0134 .2471 .0115
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 398 C
_database_code_amcsd 0008582
5.09392 5.09392 13.9672 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35527 .912 .0152
TiA 0 0 .35527 .088 .0152
FeB 0 0 .13950 .438 .0152
TiB 0 0 .13950 .562 .0152
O .3126 .0136 .2469 .0137
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 497 C
_database_code_amcsd 0008583
5.09968 5.09968 13.9803 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35536 .920 .0172
TiA 0 0 .35536 .080 .0172
FeB 0 0 .13810 .430 .0172
TiB 0 0 .13810 .570 .0172
O .3123 .0132 .2467 .0158
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 597 C
_database_code_amcsd 0008584
5.10668 5.10668 13.9928 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35556 .925 .0183
TiA 0 0 .35556 .075 .0183
FeB 0 0 .13907 .425 .0183
TiB 0 0 .13907 .575 .0183
O .3123 .0123 .2467 .0185
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 697 C
_database_code_amcsd 0008585
5.11451 5.11451 14.0061 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35585 .923 .0206
TiA 0 0 .35585 .077 .0206
FeB 0 0 .13954 .427 .0206
TiB 0 0 .13954 .573 .0206
O .3126 .0123 .2470 .0207
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 745 C
_database_code_amcsd 0008586
5.11897 5.11897 14.0135 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35564 .911 .0213
TiA 0 0 .35564 .089 .0213
FeB 0 0 .13904 .439 .0213
TiB 0 0 .13904 .561 .0213
O .3123 .0119 .2474 .0215
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 794 C
_database_code_amcsd 0008587
5.12327 5.12327 14.0202 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35588 .886 .0225
TiA 0 0 .35588 .114 .0225
FeB 0 0 .14024 .464 .0225
TiB 0 0 .14024 .536 .0225
O .3121 .0114 .2475 .0227
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 818 C
_database_code_amcsd 0008588
5.12539 5.12539 14.0237 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35571 .868 .0228
TiA 0 0 .35571 .132 .0228
FeB 0 0 .13982 .482 .0228
TiB 0 0 .13982 .518 .0228
O .3119 .0110 .2477 .0228
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 843 C
_database_code_amcsd 0008589
5.12732 5.12732 14.0255 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35590 .844 .0236
TiA 0 0 .35590 .156 .0236
FeB 0 0 .14010 .506 .0236
TiB 0 0 .14010 .494 .0236
O .3116 .0104 .2479 .0234
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 868 C
_database_code_amcsd 0008590
5.12940 5.12940 14.0271 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35576 .810 .0239
TiA 0 0 .35576 .190 .0239
FeB 0 0 .14063 .540 .0239
TiB 0 0 .14063 .460 .0239
O .3111 .0097 .2481 .0232
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 893 C
_database_code_amcsd 0008591
5.13122 5.13122 14.0301 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35550 .767 .0250
TiA 0 0 .35550 .233 .0250
FeB 0 0 .14060 .583 .0250
TiB 0 0 .14060 .417 .0250
O .3113 .0101 .2486 .0237
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 918 C
_database_code_amcsd 0008592
5.13336 5.13336 14.0327 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .35716 .675 .0255
Ti 0 0 .35716 .325 .0255
O .3062 0 .25 .0242
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 945 C
_database_code_amcsd 0008593
5.13530 5.13530 14.0372 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .35715 .675 .0260
Ti 0 0 .35715 .325 .0260
O .3060 0 .25 .0247
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 994 C
_database_code_amcsd 0008594
5.13927 5.13927 14.0457 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .35726 .675 .0261
Ti 0 0 .35726 .325 .0261
O .3058 0 .25 .0245
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 893 C
_database_code_amcsd 0008595
5.13220 5.13220 14.0317 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35590 .771 .0242
TiA 0 0 .35590 .229 .0242
FeB 0 0 .14120 .579 .0242
TiB 0 0 .14120 .421 .0242
O .3109 .0098 .2485 .0228
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 793 C
_database_code_amcsd 0008596
5.12512 5.12512 14.0236 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35591 .820 .0219
TiA 0 0 .35591 .180 .0219
FeB 0 0 .13993 .530 .0219
TiB 0 0 .13993 .470 .0219
O .3118 .0112 .2474 .2018
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Ilmenite
Harrison R J, Redfern S A T
Physics and Chemistry of Minerals 28 (2001) 399-412
Short- and long-range ordering in the ilmenite-hematite solid solution
Sample: ilm65, T = 592 C
_database_code_amcsd 0008597
5.11249 5.11249 14.0019 90 90 120 R-3
atom x y z occ Uiso
FeA 0 0 .35552 .959 .0171
TiA 0 0 .35552 .041 .0171
FeB 0 0 .13785 .391 .0171
TiB 0 0 .13785 .609 .0171
O .3129 .0134 .2469 .0181
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Ilmenite
Yamanaka T, Komatsu Y, Nomori H
Physics and Chemistry of Minerals 34 (2007) 307-318
Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
by MEM using single crystal diffraction intensities
Locality: synthetic
Sample: P = 1 atm
_database_code_amcsd 0009082
5.08810 5.08810 14.0910 90 90 120 R-3
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .355430 .457 .00582 .00582 .005732 .00291 0 0
Ti 0 0 .146429 .352 .00433 .00433 .004709 .00217 0 0
O .31717 .02351 .24498 .48 .0050 .0057 .006784 .00209 .000221 .001462
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Ilmenite
Yamanaka T, Komatsu Y, Nomori H
Physics and Chemistry of Minerals 34 (2007) 307-318
Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
by MEM using single crystal diffraction intensities
Locality: synthetic
Sample: P = 3.6 Gpa
_database_code_amcsd 0009083
5.0678 5.0678 13.9956 90 90 120 R-3
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .35570 .390 .0050 .0050 .004860 .0025 0 0
Ti 0 0 .14641 .31 .0037 .0037 .004430 .00185 0 0
O .3169 .0233 .24538 .33 .0037 .0043 .004844 .0023 .00055 .00039
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Ilmenite
Yamanaka T, Komatsu Y, Nomori H
Physics and Chemistry of Minerals 34 (2007) 307-318
Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
by MEM using single crystal diffraction intensities
Locality: synthetic
Sample: P = 5.3 GPa
_database_code_amcsd 0009084
5.0567 5.0567 13.8892 90 90 120 R-3
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .35568 .36 .0046 .0046 .004362 .0023 0 0
Ti 0 0 .14641 .28 .0033 .0033 .004123 .00165 0 0
O .3169 .0232 .24533 .30 .0027 .0043 .005017 .0021 .00028 .00024
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Ilmenite
Yamanaka T, Komatsu Y, Nomori H
Physics and Chemistry of Minerals 34 (2007) 307-318
Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
by MEM using single crystal diffraction intensities
Locality: synthetic
Sample: P = 8.2 GPa
_database_code_amcsd 0009085
5.0398 5.0398 13.7968 90 90 120 R-3
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .35611 .22 .0021 .0021 .004136 .00105 0 0
Ti 0 0 .14695 .29 .0040 .0040 .002976 .0020 0 0
O .3185 .0233 .24600 .35 .0043 .0051 .003313 .0018 .00025 .00025
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Ilmenite
Barth T F W, Posnjak E
Zeitschrift fur Kristallographie 88 (1934) 265-270
The crystal structure of ilmenite
Locality: Quincy, Massachusetts, USA
_database_code_amcsd 0010536
5.52 5.52 5.52 54.83 54.83 54.83 R-3
atom x y z
Fe .358 .358 .358
Ti .142 .142 .142
O .555 -.055 .25
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