|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaSO4 |
| |
Crichton W A, Parise J B, Antao S M, Grzechnik A |
|
American Mineralogist 90 (2005) 22-27 |
|
Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4 |
|
at high pressure and temperature |
|
Sample: P = 11.8 GPa |
|
_database_code_amcsd 0003661 |
|
6.3769 6.6439 6.1667 90 102.220 90 P2_1/n |
|
atom x y z Uiso |
|
Ca .2685 .1592 .0981 .010 |
|
S .3036 .1664 .6278 .010 |
|
O1 .2488 .0003 .4401 .025 |
|
O2 .3573 .3480 .4915 .025 |
|
O3 .4745 .1197 .7932 .025 |
|
O4 .1192 .2202 .7110 .025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaSO4 |
| |
Crichton W A, Parise J B, Antao S M, Grzechnik A |
|
American Mineralogist 90 (2005) 22-27 |
|
Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4 |
|
at high pressure and temperature |
|
Sample: P = 21 GPa, T = 1450 K |
|
_database_code_amcsd 0003662 |
|
6.3365 7.5347 4.9532 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Ca .1696 .1812 .25 .0298 |
|
S .8166 .5606 .25 .0452 |
|
O1 .5675 .8898 .25 .0334 |
|
O2 .5341 .2141 .25 .0334 |
|
O3 .3193 .4287 .9823 .0334 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 640 K, P = 6 GPa during heating |
|
_database_code_amcsd 0003892 |
|
8.32016 8.32016 8.32016 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .094 .0062 |
|
FeT .125 .125 .125 .906 .0062 |
|
MgO .5 .5 .5 .453 .0010 |
|
FeO .5 .5 .5 .547 .0010 |
|
O .2577 .2577 .2577 .0039 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 740 K, P = 6 GPa during heating |
|
_database_code_amcsd 0003893 |
|
8.32711 8.32711 8.32711 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .083 .0082 |
|
FeT .125 .125 .125 .917 .0082 |
|
MgO .5 .5 .5 .4585 .0020 |
|
FeO .5 .5 .5 .5415 .0020 |
|
O .2578 .2578 .2578 .0039 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 885 K, P = 6 GPa during heating |
|
_database_code_amcsd 0003894 |
|
8.33588 8.33588 8.33588 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .082 .0099 |
|
FeT .125 .125 .125 .918 .0099 |
|
MgO .5 .5 .5 .459 .0044 |
|
FeO .5 .5 .5 .541 .0044 |
|
O .2573 .2573 .2573 .0078 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1020 K, P = 6 GPa during heating |
|
_database_code_amcsd 0003895 |
|
8.34613 8.34613 8.34613 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .100 .0103 |
|
FeT .125 .125 .125 .900 .0103 |
|
MgO .5 .5 .5 .450 .0073 |
|
FeO .5 .5 .5 .550 .0073 |
|
O .2570 .2570 .2570 .0097 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1150 K, P = 6 GPa during heating |
|
_database_code_amcsd 0003896 |
|
8.35490 8.35490 8.35490 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .123 .0111 |
|
FeT .125 .125 .125 .877 .0111 |
|
MgO .5 .5 .5 .4385 .0090 |
|
FeO .5 .5 .5 .5615 .0090 |
|
O .2569 .2569 .2569 .0110 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 970 K, P = 6 GPa during cooling |
|
_database_code_amcsd 0003897 |
|
8.34531 8.34531 8.34531 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .109 .0096 |
|
FeT .125 .125 .125 .891 .0096 |
|
MgO .5 .5 .5 .4455 .0069 |
|
FeO .5 .5 .5 .5545 .0069 |
|
O .2575 .2575 .2575 .0084 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 860 K, P = 6 GPa during cooling |
|
_database_code_amcsd 0003898 |
|
8.33630 8.33630 8.33630 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .082 .0089 |
|
FeT .125 .125 .125 .918 .0089 |
|
MgO .5 .5 .5 .459 .0048 |
|
FeO .5 .5 .5 .541 .0048 |
|
O .2576 .2576 .2576 .0066 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 700 K, P = 6 GPa during cooling |
|
_database_code_amcsd 0003899 |
|
8.32646 8.32646 8.32646 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .080 .0071 |
|
FeT .125 .125 .125 .920 .0071 |
|
MgO .5 .5 .5 .460 .0029 |
|
FeO .5 .5 .5 .540 .0029 |
|
O .2576 .2576 .2576 .0045 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 675 K, P = 5 GPa during heating |
|
_database_code_amcsd 0003900 |
|
8.33637 8.33637 8.33637 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .093 .0071 |
|
FeT .125 .125 .125 .907 .0071 |
|
MgO .5 .5 .5 .4535 .0034 |
|
FeO .5 .5 .5 .5465 .0034 |
|
O .2562 .2562 .2562 .0062 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 770 K, P = 5 GPa during heating |
|
_database_code_amcsd 0003901 |
|
8.34432 8.34432 8.34432 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .088 .0069 |
|
FeT .125 .125 .125 .912 .0069 |
|
MgO .5 .5 .5 .456 .0034 |
|
FeO .5 .5 .5 .544 .0034 |
|
O .2569 .2569 .2569 .0057 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 920 K, P = 5 GPa during heating |
|
_database_code_amcsd 0003902 |
|
8.35460 8.35460 8.35460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .090 .0088 |
|
FeT .125 .125 .125 .910 .0088 |
|
MgO .5 .5 .5 .455 .0058 |
|
FeO .5 .5 .5 .545 .0058 |
|
O .2567 .2567 .2567 .0081 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1070 K, P = 5 GPa during heating |
|
_database_code_amcsd 0003903 |
|
8.36537 8.36537 8.36537 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .118 .0112 |
|
FeT .125 .125 .125 .882 .0112 |
|
MgO .5 .5 .5 .441 .0080 |
|
FeO .5 .5 .5 .559 .0080 |
|
O .2561 .2561 .2561 .0110 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1130 K, P = 5 GPa during heating |
|
_database_code_amcsd 0003904 |
|
8.37304 8.37304 8.37304 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .143 .0114 |
|
FeT .125 .125 .125 .857 .0114 |
|
MgO .5 .5 .5 .4285 .0091 |
|
FeO .5 .5 .5 .5715 .0091 |
|
O .2559 .2559 .2559 .0147 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1010 K, P = 5 GPa during cooling |
|
_database_code_amcsd 0003905 |
|
8.37303 8.37303 8.37303 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .126 .0148 |
|
FeT .125 .125 .125 .874 .0148 |
|
MgO .5 .5 .5 .437 .0074 |
|
FeO .5 .5 .5 .563 .0074 |
|
O .2565 .2565 .2565 .0116 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 870 K, P = 5 GPa during cooling |
|
_database_code_amcsd 0003906 |
|
8.35489 8.35489 8.35489 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .087 .0125 |
|
FeT .125 .125 .125 .913 .0125 |
|
MgO .5 .5 .5 .4565 .0020 |
|
FeO .5 .5 .5 .5435 .0020 |
|
O .2564 .2564 .2564 .0053 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 620 K, P = 5 GPa during cooling |
|
_database_code_amcsd 0003907 |
|
8.33319 8.33319 8.33319 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .092 .0062 |
|
FeT .125 .125 .125 .908 .0062 |
|
MgO .5 .5 .5 .454 .0001 |
|
FeO .5 .5 .5 .546 .0001 |
|
O .2574 .2574 .2574 .0023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 730 K, P = 3 GPa during heating |
|
_database_code_amcsd 0003908 |
|
8.36741 8.36741 8.36741 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .116 .0049 |
|
FeT .125 .125 .125 .884 .0049 |
|
MgO .5 .5 .5 .442 .0024 |
|
FeO .5 .5 .5 .558 .0024 |
|
O .2566 .2566 .2566 .0045 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 815 K, P = 3 GPa during heating |
|
_database_code_amcsd 0003909 |
|
8.37647 8.37647 8.37647 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .117 .0056 |
|
FeT .125 .125 .125 .883 .0056 |
|
MgO .5 .5 .5 .4415 .0031 |
|
FeO .5 .5 .5 .5585 .0031 |
|
O .2565 .2565 .2565 .0059 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 960 K, P = 3 GPa during heating |
|
_database_code_amcsd 0003910 |
|
8.38915 8.38915 8.38915 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .120 .0093 |
|
FeT .125 .125 .125 .880 .0093 |
|
MgO .5 .5 .5 .440 .0061 |
|
FeO .5 .5 .5 .560 .0061 |
|
O .2559 .2559 .2559 .0089 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1045 K, P = 3 GPa during heating |
|
_database_code_amcsd 0003911 |
|
8.40123 8.40123 8.40123 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .156 .0107 |
|
FeT .125 .125 .125 .844 .0107 |
|
MgO .5 .5 .5 .422 .0096 |
|
FeO .5 .5 .5 .578 .0096 |
|
O .2557 .2557 .2557 .0126 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1090 K, P = 3 GPa during heating |
|
_database_code_amcsd 0003912 |
|
8.41012 8.41012 8.41012 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .193 .0119 |
|
FeT .125 .125 .125 .807 .0119 |
|
MgO .5 .5 .5 .4035 .0114 |
|
FeO .5 .5 .5 .5965 .0114 |
|
O .2562 .2562 .2562 .0163 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1110 K, P = 3 GPa during heating |
|
_database_code_amcsd 0003913 |
|
8.41455 8.41455 8.41455 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .206 .0106 |
|
FeT .125 .125 .125 .794 .0106 |
|
MgO .5 .5 .5 .397 .0110 |
|
FeO .5 .5 .5 .603 .0110 |
|
O .2558 .2558 .2558 .0158 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1220 K, P = 3 GPa during heating |
|
_database_code_amcsd 0003914 |
|
8.42331 8.42331 8.42331 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .236 .0094 |
|
FeT .125 .125 .125 .764 .0094 |
|
MgO .5 .5 .5 .382 .0133 |
|
FeO .5 .5 .5 .618 .0133 |
|
O .2552 .2552 .2552 .0163 |
|
|
| Download AMC data (View Text File)
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| |
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Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
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magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1310 K, P = 3 GPa during heating |
|
_database_code_amcsd 0003915 |
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8.43440 8.43440 8.43440 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
|
MgT .125 .125 .125 .258 .0099 |
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FeT .125 .125 .125 .742 .0099 |
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MgO .5 .5 .5 .371 .0162 |
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FeO .5 .5 .5 .629 .0162 |
|
O .2555 .2555 .2555 .0215 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1430 K, P = 3 GPa during heating |
|
_database_code_amcsd 0003916 |
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8.44786 8.44786 8.44786 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
|
MgT .125 .125 .125 .309 .0115 |
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FeT .125 .125 .125 .691 .0115 |
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MgO .5 .5 .5 .3455 .0188 |
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FeO .5 .5 .5 .6545 .0188 |
|
O .2551 .2551 .2551 .0272 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1320 K, P = 3 GPa during cooling |
|
_database_code_amcsd 0003917 |
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8.44044 8.44044 8.44044 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
|
MgT .125 .125 .125 .313 .0117 |
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FeT .125 .125 .125 .687 .0117 |
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MgO .5 .5 .5 .3435 .0163 |
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FeO .5 .5 .5 .6565 .0163 |
|
O .2555 .2555 .2555 .0317 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1210 K, P = 3 GPa during cooling |
|
_database_code_amcsd 0003918 |
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8.43331 8.43331 8.43331 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
|
MgT .125 .125 .125 .256 .0163 |
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FeT .125 .125 .125 .744 .0163 |
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MgO .5 .5 .5 .372 .0155 |
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FeO .5 .5 .5 .628 .0155 |
|
O .2554 .2554 .2554 .0423 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1130 K, P = 3 GPa during cooling |
|
_database_code_amcsd 0003919 |
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8.42484 8.42484 8.42484 90 90 90 *Fd3m |
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.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .259 .0064 |
|
FeT .125 .125 .125 .741 .0064 |
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MgO .5 .5 .5 .3705 .0137 |
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FeO .5 .5 .5 .6295 .0137 |
|
O .2566 .2566 .2566 .0291 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1070 K, P = 3 GPa during cooling |
|
_database_code_amcsd 0003920 |
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8.41798 8.41798 8.41798 90 90 90 *Fd3m |
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.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .223 .0057 |
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FeT .125 .125 .125 .777 .0057 |
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MgO .5 .5 .5 .3885 .0104 |
|
FeO .5 .5 .5 .6115 .0104 |
|
O .2573 .2573 .2573 .0207 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 1030 K, P = 3 GPa during cooling |
|
_database_code_amcsd 0003921 |
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8.41033 8.41033 8.41033 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .202 .0038 |
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FeT .125 .125 .125 .798 .0038 |
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MgO .5 .5 .5 .399 .0072 |
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FeO .5 .5 .5 .601 .0072 |
|
O .2576 .2576 .2576 .0095 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 890 K, P = 3 GPa during cooling |
|
_database_code_amcsd 0003922 |
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8.39887 8.39887 8.39887 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .191 .0023 |
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FeT .125 .125 .125 .809 .0023 |
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MgO .5 .5 .5 .4045 .0064 |
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FeO .5 .5 .5 .5955 .0064 |
|
O .2565 .2565 .2565 .0090 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioferrite |
|
Antao S M, Hassan I, Crichton W A, Parise J B |
|
American Mineralogist 90 (2005) 1500-1505 |
|
Effects of high pressure and high temperature on cation ordering in |
|
magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder |
|
diffraction up to 1430 K and 6 GPa |
|
Sample: T = 560 K, P = 3 GPa during cooling |
|
_database_code_amcsd 0003923 |
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8.38636 8.38636 8.38636 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .186 .0023 |
|
FeT .125 .125 .125 .814 .0023 |
|
MgO .5 .5 .5 .407 .0041 |
|
FeO .5 .5 .5 .593 .0041 |
|
O .2564 .2564 .2564 .0060 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B |
|
American Mineralogist 91 (2006) 1703-1706 |
|
Rietveld structure refinement of perovskite and post-perovskite phases of |
|
NaMgF3 (neighborite) at high pressures |
|
Locality: synthetic |
|
Sample: (a), P = 27 GPa |
|
_database_code_amcsd 0004239 |
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4.8904 5.2022 7.1403 90 90 90 Pbnm |
|
atom x y z |
|
Na .9771 .0802 .25 |
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Mg 0 .5 0 |
|
F1 .1019 .4697 .25 |
|
F2 .6750 .3110 .0619 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaMgF3 |
| |
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B |
|
American Mineralogist 91 (2006) 1703-1706 |
|
Rietveld structure refinement of perovskite and post-perovskite phases of |
|
NaMgF3 (neighborite) at high pressures |
|
Locality: synthetic |
|
Sample: (b), P = 54 GPa |
|
_database_code_amcsd 0004240 |
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2.7145 8.393 6.8512 90 90 90 Cmcm |
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atom x y z |
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Na 0 .2567 .25 |
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Mg 0 0 0 |
|
F1 .5 .4242 .25 |
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F2 .5 .1402 .0676 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaMgF3 |
| |
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B |
|
American Mineralogist 91 (2006) 1703-1706 |
|
Rietveld structure refinement of perovskite and post-perovskite phases of |
|
NaMgF3 (neighborite) at high pressures |
|
Locality: synthetic |
|
Sample: (c), P = 54 GPa |
|
_database_code_amcsd 0004241 |
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2.7164 8.381 6.8487 90 90 90 Cmcm |
|
atom x y z |
|
Na 0 .2422 .25 |
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Mg 0 0 0 |
|
F1 .5 .4433 .25 |
|
F2 .5 .1385 .0579 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaMgF3 |
| |
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B |
|
American Mineralogist 91 (2006) 1703-1706 |
|
Rietveld structure refinement of perovskite and post-perovskite phases of |
|
NaMgF3 (neighborite) at high pressures |
|
Locality: synthetic |
|
Sample: (d), P = 54 GPa |
|
_database_code_amcsd 0004242 |
|
2.7143 8.393 6.846 90 90 90 Cmc2_1 |
|
atom x y z |
|
Na 0 .2531 .0036 |
|
Mg 0 .0129 .2556 |
|
F1 0 .9251 0 |
|
F2 0 .6286 .1551 |
|
F3 0 .6554 .7902 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sulphur |
|
Crichton W A, Vaughan G B M, Mezouar M |
| |
Zeitschrift fur Kristallographie 216 (2001) 417-419 |
|
In situ structure solution of helical sulphur at 3 GPa and 400 deg C |
|
Locality: synthetic |
|
P = 3 GPa, T = 400 C |
|
_database_code_amcsd 0011091 |
|
7.0897 7.0897 4.30238 90 90 120 P3_221 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
S1 .7727 .3067 .6105 .061 .108 .0277 .054 -.0077 -.0177 |
|
S2 .8755 0 1/6 .074 .069 .033 .035 -.0032 -.006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phosphorus |
| |
Crichton W A, Mezouar M, Monaco G, Falconi S |
| |
Powder Diffraction 18 (2003) 155-158 |
|
Phosphorus: new in situ powder data from large-volume apparatus |
|
Locality: synthetic |
|
Sample: at P = 1.2 GPa and T = 1100 K |
|
_database_code_amcsd 0015324 |
|
3.3199 10.3678 4.3154 90 90 90 Cmca |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
P .5 .10437 .9179 .0481 .0401 .0773 0 0 -.059 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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