American Mineralogist Crystal Structure Database

300 matching records for this search.

Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 28 C
_database_code_amcsd 0003407
8.88696 8.88696 8.88696 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1779  .1779  .1779 .0177
Al      .25      0    1/2 .0051
Si      .25    1/2      0 .0051
O    .13974 .15013 .43895 .0024
Cl        0      0      0 .0240
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 43 C
_database_code_amcsd 0003408
8.88689 8.88689 8.88689 90 90 90 P-43n
atom      x      y      z   Uiso
Na    .1781  .1781  .1781  .0166
Al      .25      0    1/2 .00491
Si      .25    1/2      0 .00491
O    .13946 .14984 .43876  .0018
Cl        0      0      0  .0238
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 58 C
_database_code_amcsd 0003409
8.88850 8.88850 8.88850 90 90 90 P-43n
atom      x      y      z   Uiso
Na    .1781  .1781  .1781  .0182
Al      .25      0    1/2 .00498
Si      .25    1/2      0 .00498
O    .13979 .15017 .43908  .0026
Cl        0      0      0  .0255
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 104 C
_database_code_amcsd 0003410
8.89540 8.89540 8.89540 90 90 90 P-43n
atom      x      y      z   Uiso
Na    .1782  .1782  .1782  .0228
Al      .25      0    1/2 .00604
Si      .25    1/2      0 .00604
O    .14038 .15074 .43992  .0044
Cl        0      0      0  .0311
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 164 C
_database_code_amcsd 0003411
8.90171 8.90171 8.90171 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1785  .1785  .1785 .0261
Al      .25      0    1/2 .0066
Si      .25    1/2      0 .0066
O    .14064 .15099 .44052 .0057
Cl        0      0      0 .0363
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 270 C
_database_code_amcsd 0003412
8.91423 8.91423 8.91423 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1788  .1788  .1788 .0347
Al      .25      0    1/2 .0090
Si      .25    1/2      0 .0090
O    .14122 .15155 .44178 .0092
Cl        0      0      0 .0465
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 376 C
_database_code_amcsd 0003413
8.92782 8.92782 8.92782 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1798  .1798  .1798 .0387
Al      .25      0    1/2 .0083
Si      .25    1/2      0 .0083
O    .14165 .15194 .44303 .0104
Cl        0      0      0 .0571
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 482 C
_database_code_amcsd 0003414
8.94177 8.94177 8.94177 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1800  .1800  .1800 .0497
Al      .25      0    1/2 .0116
Si      .25    1/2      0 .0116
O    .14229 .15255 .44450 .0149
Cl        0      0      0 .0700
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 588 C
_database_code_amcsd 0003415
8.95963 8.95963 8.95963 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1816  .1816  .1816 .0541
Al      .25      0    1/2 .0106
Si      .25    1/2      0 .0106
O    .14272 .15294 .44612 .0171
Cl        0      0      0 .0865
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 694 C
_database_code_amcsd 0003416
8.97427 8.97427 8.97427 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1822  .1822  .1822 .0631
Al      .25      0    1/2 .0122
Si      .25    1/2      0 .0122
O    .14333 .15351 .44772 .0207
Cl        0      0      0 .1016
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 800 C
_database_code_amcsd 0003417
8.99003 8.99003 8.99003 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1835  .1835  .1835 .0692
Al      .25      0    1/2 .0130
Si      .25    1/2      0 .0130
O    .14369 .15384 .44922 .0238
Cl        0      0      0 .1200
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 906 C
_database_code_amcsd 0003418
9.01287 9.01287 9.01287 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1854  .1854  .1854 .0813
Al      .25      0    1/2 .0150
Si      .25    1/2      0 .0150
O    .14428 .15438 .45155 .0296
Cl        0      0      0 .1498
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 967 C
_database_code_amcsd 0003419
9.02374 9.02374 9.02374 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1864  .1864  .1864 .0866
Al      .25      0    1/2 .0155
Si      .25    1/2      0 .0155
O    .14471 .15479 .45286 .0324
Cl        0      0      0 .1667
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
American Mineralogist 89 (2004) 359-364
Sodalite: High-temperature structures obtained from synchrotron radiation
and Rietveld refinements
Sample: T = 982 C
_database_code_amcsd 0003420
9.02748 9.02748 9.02748 90 90 90 P-43n
atom      x      y      z  Uiso
Na    .1868  .1868  .1868 .0892
Al      .25      0    1/2 .0164
Si      .25    1/2      0 .0164
O    .14460 .15467 .45305 .0334
Cl        0      0      0 .1717
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 20 C, data from Hassan and Grundy (1991)
_database_code_amcsd 0003450
8.640 8.640 8.873 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0075
Be       0    .5   .25 .0098
Si   .0127 .2533 .4958 .0075
O1   .1504 .1343 .4417 .0121
O2   .3472 .0385 .6488 .0121
O3   .4256 .1486 .1377 .0121
Na   .1563 .1972 .1818 .0188
Cl       0     0     0 .0234
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 33 C
_database_code_amcsd 0003451
8.62597 8.62597 8.8564 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0125
Be       0    .5   .25  .007
Si   .0133 .2539 .4949 .0125
O1   .1501 .1367 .4433 .0111
O2   .3438 .0359 .6503 .0111
O3   .4249 .1430 .1391 .0111
Na   .1571 .1970 .1824 .0268
Cl       0     0     0 .0302
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 65 C
_database_code_amcsd 0003452
8.62591 8.62591 8.8562 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0126
Be       0    .5   .25  .006
Si   .0133 .2541 .4947 .0126
O1   .1502 .1363 .4427 .0111
O2   .3436 .0354 .6505 .0111
O3   .4250 .1434 .1391 .0111
Na   .1573 .1967 .1824 .0276
Cl       0     0     0 .0304
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 113 C
_database_code_amcsd 0003453
8.63144 8.63144 8.8598 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0135
Be       0    .5   .25  .005
Si   .0131 .2540 .4949 .0135
O1   .1502 .1366 .4433 .0120
O2   .3436 .0352 .6506 .0120
O3   .4257 .1439 .1390 .0120
Na   .1577 .1969 .1824 .0301
Cl       0     0     0 .0344
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 210 C
_database_code_amcsd 0003454
8.63812 8.63812 8.8644 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0143
Be       0    .5   .25  .007
Si   .0129 .2541 .4948 .0143
O1   .1502 .1368 .4437 .0134
O2   .3433 .0348 .6507 .0134
O3   .4266 .1439 .1391 .0134
Na   .1582 .1969 .1826 .0336
Cl       0     0     0 .0389
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 306 C
_database_code_amcsd 0003455
8.64804 8.64804 8.8715 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0153
Be       0    .5   .25  .009
Si   .0127 .2541 .4948 .0153
O1   .1500 .1372 .4445 .0157
O2   .3434 .0343 .6512 .0157
O3   .4277 .1442 .1391 .0157
Na   .1589 .1972 .1827 .0385
Cl       0     0     0 .0458
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 419 C
_database_code_amcsd 0003456
8.65669 8.65669 8.8778 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0160
Be       0    .5   .25  .009
Si   .0124 .2541 .4949 .0160
O1   .1501 .1372 .4454 .0172
O2   .3436 .0343 .6515 .0172
O3   .4291 .1447 .1392 .0172
Na   .1595 .1976 .1827 .0424
Cl       0     0     0 .0516
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 516 C
_database_code_amcsd 0003457
8.66710 8.66710 8.8857 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0168
Be       0    .5   .25  .010
Si   .0123 .2541 .4948 .0168
O1   .1500 .1374 .4464 .0188
O2   .3436 .0340 .6517 .0188
O3   .4304 .1450 .1393 .0188
Na   .1602 .1977 .1828 .0471
Cl       0     0     0 .0585
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 596 C
_database_code_amcsd 0003458
8.67339 8.67339 8.8904 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0175
Be       0    .5   .25  .013
Si   .0122 .2544 .4946 .0175
O1   .1501 .1384 .4467 .0208
O2   .3427 .0329 .6520 .0208
O3   .4310 .1444 .1396 .0208
Na   .1606 .1974 .1830 .0518
Cl       0     0     0 .0638
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 644 C
_database_code_amcsd 0003459
8.67908 8.67908 8.8950 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0182
Be       0    .5   .25  .014
Si   .0121 .2544 .4945 .0182
O1   .1501 .1386 .4473 .0219
O2   .3427 .0324 .6521 .0219
O3   .4316 .1445 .1397 .0219
Na   .1612 .1975 .1830 .0550
Cl       0     0     0 .0681
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 709 C
_database_code_amcsd 0003460
8.68613 8.68613 8.9006 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0187
Be       0    .5   .25  .013
Si   .0119 .2541 .4949 .0187
O1   .1496 .1380 .4483 .0228
O2   .3433 .0325 .6522 .0228
O3   .4327 .1456 .1396 .0228
Na   .1618 .1978 .1831 .0571
Cl       0     0     0 .0731
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 773 C
_database_code_amcsd 0003461
8.69349 8.69349 8.9064 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0195
Be       0    .5   .25  .014
Si   .0118 .2541 .4949 .0195
O1   .1496 .1383 .4492 .0246
O2   .3434 .0320 .6524 .0246
O3   .4337 .1457 .1399 .0246
Na   .1622 .1980 .1832 .0615
Cl       0     0     0 .0789
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 821 C
_database_code_amcsd 0003462
8.69872 8.69872 8.9107 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0200
Be       0    .5   .25  .013
Si   .0118 .2541 .4949 .0200
O1   .1496 .1385 .4497 .0256
O2   .3435 .0321 .6526 .0256
O3   .4344 .1459 .1400 .0256
Na   .1626 .1983 .1832 .0634
Cl       0     0     0 .0834
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 869 C
_database_code_amcsd 0003463
8.70359 8.70359 8.9147 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0205
Be       0    .5   .25  .014
Si   .0117 .2540 .4948 .0205
O1   .1492 .1388 .4502 .0266
O2   .3432 .0316 .6526 .0266
O3   .4351 .1458 .1399 .0266
Na   .1628 .1984 .1834 .0656
Cl       0     0     0 .0874
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 902 C
_database_code_amcsd 0003464
8.70633 8.70633 8.9169 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0208
Be       0    .5   .25  .015
Si   .0116 .2541 .4949 .0208
O1   .1494 .1387 .4505 .0272
O2   .3433 .0315 .6528 .0272
O3   .4355 .1460 .1400 .0272
Na   .1631 .1985 .1834 .0674
Cl       0     0     0 .0899
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Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 934 C
_database_code_amcsd 0003465
8.71168 8.71168 8.9214 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0210
Be       0    .5   .25  .015
Si   .0117 .2540 .4949 .0210
O1   .1492 .1389 .4511 .0282
O2   .3432 .0313 .6527 .0282
O3   .4363 .1462 .1401 .0282
Na   .1634 .1986 .1836 .0698
Cl       0     0     0 .0940
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Tugtupite
Download hom/tugtupite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol89/AM89_492.pdf
American Mineralogist 89 (2004) 492-497
Tugtupite: High-temperature structures obtained from in situ synchrotron
diffraction and Rietveld refinements
T = 982 C
_database_code_amcsd 0003466
8.71853 8.71853 8.9269 90 90 90 I-4
atom     x     y     z  Uiso
Al       0    .5   .75 .0218
Be       0    .5   .25  .015
Si   .0115 .2540 .4949 .0218
O1   .1491 .1393 .4518 .0297
O2   .3432 .0308 .6529 .0297
O3   .4373 .1462 .1400 .0297
Na   .1640 .1988 .1837 .0737
Cl       0     0     0 .1002
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Dolomite
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
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Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
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Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
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Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
Download hom/dolomite.pdf
Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
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Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
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Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
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Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
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Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
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Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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
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Antao S M, Mulder W H, Hassan I, Crichton W A, Parise J B
Download am/vol89/AM89_1142.pdf
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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CaSO4
 
Crichton W A, Parise J B, Antao S M, Grzechnik A
Download am/vol90/AM90_22.pdf
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
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View JMOL 3-D Structure (permalink)
 
CaSO4
 
Crichton W A, Parise J B, Antao S M, Grzechnik A
Download am/vol90/AM90_22.pdf
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
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction
Sample: on heating T = 28 C
_database_code_amcsd 0003675
8.39704 8.39704 8.39704 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .841 .0011
MgT   .125  .125  .125  .159 .0011
FeO     .5    .5    .5 .5795 .0022
MgO     .5    .5    .5 .4205 .0022
O    .2548 .2548 .2548       .0052
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 47 C
_database_code_amcsd 0003676
8.39769 8.39769 8.39769 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
FeT   .125  .125  .125 .84 .0020
MgT   .125  .125  .125 .16 .0020
FeO     .5    .5    .5 .58 .0032
MgO     .5    .5    .5 .42 .0032
O    .2550 .2550 .2550     .0053
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 105 C
_database_code_amcsd 0003677
8.40360 8.40360 8.40360 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .839 .0025
MgT   .125  .125  .125  .161 .0025
FeO     .5    .5    .5 .5805 .0040
MgO     .5    .5    .5 .4195 .0040
O    .2548 .2548 .2548       .0066
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 143 C
_database_code_amcsd 0003678
8.40578 8.40578 8.40578 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .839 .0030
MgT   .125  .125  .125  .161 .0030
FeO     .5    .5    .5 .5805 .0047
MgO     .5    .5    .5 .4195 .0047
O    .2549 .2549 .2549       .0070
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 200 C
_database_code_amcsd 0003679
8.41019 8.41019 8.41019 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .839 .0035
MgT   .125  .125  .125  .161 .0035
FeO     .5    .5    .5 .5805 .0054
MgO     .5    .5    .5 .4195 .0054
O    .2549 .2549 .2549       .0074
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 257 C
_database_code_amcsd 0003680
8.41634 8.41634 8.41634 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .839 .0047
MgT   .125  .125  .125  .161 .0047
FeO     .5    .5    .5 .5805 .0066
MgO     .5    .5    .5 .4195 .0066
O    .2550 .2550 .2550       .0082
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 295 C
_database_code_amcsd 0003681
8.42079 8.42079 8.42079 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .836 .0045
MgT   .125  .125  .125 .164 .0045
FeO     .5    .5    .5 .582 .0070
MgO     .5    .5    .5 .418 .0070
O    .2550 .2550 .2550      .0089
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 353 C
_database_code_amcsd 0003682
8.42712 8.42712 8.42712 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .838 .0063
MgT   .125  .125  .125 .162 .0063
FeO     .5    .5    .5 .581 .0085
MgO     .5    .5    .5 .419 .0085
O    .2549 .2549 .2549      .0097
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 410 C
_database_code_amcsd 0003683
8.43043 8.43043 8.43043 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .837 .0057
MgT   .125  .125  .125  .163 .0057
FeO     .5    .5    .5 .5815 .0082
MgO     .5    .5    .5 .4185 .0082
O    .2547 .2547 .2547       .0105
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 448 C
_database_code_amcsd 0003684
8.43439 8.43439 8.43439 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .839 .0060
MgT   .125  .125  .125  .161 .0060
FeO     .5    .5    .5 .5805 .0089
MgO     .5    .5    .5 .4195 .0089
O    .2546 .2546 .2546       .0111
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 505 C
_database_code_amcsd 0003685
8.43699 8.43699 8.43699 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Uiso
FeT   .125  .125  .125  .85 .0062
MgT   .125  .125  .125  .15 .0062
FeO     .5    .5    .5 .575 .0092
MgO     .5    .5    .5 .425 .0092
O    .2544 .2544 .2544      .0116
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 543 C
_database_code_amcsd 0003686
8.43829 8.43829 8.43829 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .861 .0066
MgT   .125  .125  .125  .139 .0066
FeO     .5    .5    .5 .5695 .0098
MgO     .5    .5    .5 .4305 .0098
O    .2544 .2544 .2544       .0122
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 562 C
_database_code_amcsd 0003687
8.44178 8.44178 8.44178 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .863 .0071
MgT   .125  .125  .125  .137 .0071
FeO     .5    .5    .5 .5685 .0103
MgO     .5    .5    .5 .4315 .0103
O    .2542 .2542 .2542       .0129
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 581 C
_database_code_amcsd 0003688
8.44082 8.44082 8.44082 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .867 .0069
MgT   .125  .125  .125  .133 .0069
FeO     .5    .5    .5 .5665 .0099
MgO     .5    .5    .5 .4335 .0099
O    .2542 .2542 .2542       .0127
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 601 C
_database_code_amcsd 0003689
8.44366 8.44366 8.44366 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .859 .0071
MgT   .125  .125  .125  .141 .0071
FeO     .5    .5    .5 .5705 .0103
MgO     .5    .5    .5 .4295 .0103
O    .2542 .2542 .2542       .0132
Download AMC data (View Text File)
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 658 C
_database_code_amcsd 0003690
8.44737 8.44737 8.44737 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .849 .0076
MgT   .125  .125  .125  .151 .0076
FeO     .5    .5    .5 .5755 .0106
MgO     .5    .5    .5 .4245 .0106
O    .2541 .2541 .2541       .0139
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 696 C
_database_code_amcsd 0003691
8.45225 8.45225 8.45225 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .834 .0091
MgT   .125  .125  .125 .166 .0091
FeO     .5    .5    .5 .583 .0114
MgO     .5    .5    .5 .417 .0114
O    .2544 .2544 .2544      .0156
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 753 C
_database_code_amcsd 0003692
8.45830 8.45830 8.45830 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .818 .0090
MgT   .125  .125  .125 .182 .0090
FeO     .5    .5    .5 .591 .0118
MgO     .5    .5    .5 .409 .0118
O    .2542 .2542 .2542      .0160
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 791 C
_database_code_amcsd 0003693
8.46018 8.46018 8.46018 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .814 .0095
MgT   .125  .125  .125 .186 .0095
FeO     .5    .5    .5 .593 .0120
MgO     .5    .5    .5 .407 .0120
O    .2542 .2542 .2542      .0166
Download AMC data (View Text File)
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 848 C
_database_code_amcsd 0003694
8.46608 8.46608 8.46608 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .797 .0098
MgT   .125  .125  .125  .203 .0098
FeO     .5    .5    .5 .6015 .0124
MgO     .5    .5    .5 .3985 .0124
O    .2541 .2541 .2541       .0174
Download AMC data (View Text File)
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 906 C
_database_code_amcsd 0003695
8.47175 8.47175 8.47175 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
FeT   .125  .125  .125 .78 .0105
MgT   .125  .125  .125 .22 .0105
FeO     .5    .5    .5 .61 .0133
MgO     .5    .5    .5 .39 .0133
O    .2542 .2542 .2542     .0185
Download AMC data (View Text File)
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 944 C
_database_code_amcsd 0003696
8.47516 8.47516 8.47516 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .773 .0110
MgT   .125  .125  .125  .227 .0110
FeO     .5    .5    .5 .6135 .0136
MgO     .5    .5    .5 .3865 .0136
O    .2543 .2543 .2543       .0190
Download AMC data (View Text File)
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on heating T = 982 C
_database_code_amcsd 0003697
8.47670 8.47670 8.47670 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .769 .0110
MgT   .125  .125  .125  .231 .0110
FeO     .5    .5    .5 .6155 .0138
MgO     .5    .5    .5 .3845 .0138
O    .2543 .2543 .2543       .0190
Download AMC data (View Text File)
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 963 C
_database_code_amcsd 0003698
8.47405 8.47405 8.47405 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .772 .0077
MgT   .125  .125  .125 .228 .0077
FeO     .5    .5    .5 .614 .0109
MgO     .5    .5    .5 .386 .0109
O    .2538 .2538 .2538      .0174
Download AMC data (View Text File)
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 944 C
_database_code_amcsd 0003699
8.47392 8.47392 8.47392 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .774 .0107
MgT   .125  .125  .125 .226 .0107
FeO     .5    .5    .5 .613 .0133
MgO     .5    .5    .5 .387 .0133
O    .2542 .2542 .2542      .0187
Download AMC data (View Text File)
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 906 C
_database_code_amcsd 0003700
8.47029 8.47029 8.47029 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .787 .0105
MgT   .125  .125  .125  .213 .0105
FeO     .5    .5    .5 .6065 .0133
MgO     .5    .5    .5 .3935 .0133
O    .2543 .2543 .2543       .0182
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 848 C
_database_code_amcsd 0003701
8.46438 8.46438 8.46438 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .803 .0092
MgT   .125  .125  .125  .197 .0092
FeO     .5    .5    .5 .5985 .0119
MgO     .5    .5    .5 .4015 .0119
O    .2543 .2543 .2543       .0166
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 791 C
_database_code_amcsd 0003702
8.46211 8.46211 8.46211 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .811 .0087
MgT   .125  .125  .125  .189 .0087
FeO     .5    .5    .5 .5945 .0111
MgO     .5    .5    .5 .4055 .0111
O    .2540 .2540 .2540       .0166
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 753 C
_database_code_amcsd 0003703
8.45708 8.45708 8.45708 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .826 .0082
MgT   .125  .125  .125 .174 .0082
FeO     .5    .5    .5 .587 .0108
MgO     .5    .5    .5 .413 .0108
O    .2543 .2543 .2543      .0151
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 715 C
_database_code_amcsd 0003704
8.45245 8.45245 8.45245 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .825 .0063
MgT   .125  .125  .125  .175 .0063
FeO     .5    .5    .5 .5875 .0112
MgO     .5    .5    .5 .4125 .0112
O    .2543 .2543 .2543       .0167
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Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 696 C
_database_code_amcsd 0003705
8.45180 8.45180 8.45180 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .843 .0073
MgT   .125  .125  .125  .157 .0073
FeO     .5    .5    .5 .5785 .0099
MgO     .5    .5    .5 .4215 .0099
O    .2543 .2543 .2543       .0135
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 658 C
_database_code_amcsd 0003706
8.44813 8.44813 8.44813 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .857 .0070
MgT   .125  .125  .125  .143 .0070
FeO     .5    .5    .5 .5715 .0094
MgO     .5    .5    .5 .4285 .0094
O    .2543 .2543 .2543       .0130
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 601 C
_database_code_amcsd 0003707
8.44122 8.44122 8.44122 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .875 .0060
MgT   .125  .125  .125  .125 .0060
FeO     .5    .5    .5 .5625 .0085
MgO     .5    .5    .5 .4375 .0085
O    .2543 .2543 .2543       .0112
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 562 C
_database_code_amcsd 0003708
8.43831 8.43831 8.43831 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .877 .0052
MgT   .125  .125  .125  .123 .0052
FeO     .5    .5    .5 .5615 .0085
MgO     .5    .5    .5 .4385 .0085
O    .2546 .2546 .2546       .0105
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 543 C
_database_code_amcsd 0003709
8.43712 8.43712 8.43712 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .881 .0051
MgT   .125  .125  .125  .119 .0051
FeO     .5    .5    .5 .5595 .0080
MgO     .5    .5    .5 .4405 .0080
O    .2543 .2543 .2543       .0103
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 505 C
_database_code_amcsd 0003710
8.43375 8.43375 8.43375 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .888 .0050
MgT   .125  .125  .125 .112 .0050
FeO     .5    .5    .5 .556 .0076
MgO     .5    .5    .5 .444 .0076
O    .2543 .2543 .2543      .0097
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 448 C
_database_code_amcsd 0003711
8.42961 8.42961 8.42961 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .888 .0045
MgT   .125  .125  .125 .112 .0045
FeO     .5    .5    .5 .556 .0072
MgO     .5    .5    .5 .444 .0072
O    .2547 .2547 .2547      .0084
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 410 C
_database_code_amcsd 0003712
8.42558 8.42558 8.42558 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .890 .0038
MgT   .125  .125  .125 .110 .0038
FeO     .5    .5    .5 .555 .0062
MgO     .5    .5    .5 .445 .0062
O    .2546 .2546 .2546      .0079
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 353 C
_database_code_amcsd 0003713
8.42080 8.42080 8.42080 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125  .89 .0028
MgT   .125  .125  .125  .11 .0028
FeO     .5    .5    .5 .555 .0054
MgO     .5    .5    .5 .445 .0054
O    .2546 .2546 .2546      .0071
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 295 C
_database_code_amcsd 0003714
8.41415 8.41415 8.41415 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .893 .0026
MgT   .125  .125  .125  .107 .0026
FeO     .5    .5    .5 .5535 .0043
MgO     .5    .5    .5 .4465 .0043
O    .2547 .2547 .2547       .0062
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 257 C
_database_code_amcsd 0003715
8.41259 8.41259 8.41259 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
FeT   .125  .125  .125  .889 .0012
MgT   .125  .125  .125  .111 .0012
FeO     .5    .5    .5 .5555 .0035
MgO     .5    .5    .5 .4445 .0035
O    .2548 .2548 .2548       .0053
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 200 C
_database_code_amcsd 0003716
8.40607 8.40607 8.40607 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .892 .0006
MgT   .125  .125  .125 .108 .0006
FeO     .5    .5    .5 .554 .0022
MgO     .5    .5    .5 .446 .0022
O    .2546 .2546 .2546      .0049
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 143 C
_database_code_amcsd 0003717
8.40084 8.40084 8.40084 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .894 .0009
MgT   .125  .125  .125 .106 .0009
FeO     .5    .5    .5 .553 .0024
MgO     .5    .5    .5 .447 .0024
O    .2545 .2545 .2545      .0056
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnesioferrite
Download hom/magnesioferrite.pdf
Antao S M, Hassan I, Parise J B
Download am/vol90/AM90_219.pdf
American Mineralogist 90 (2005) 219-228
Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
in situ synchrotron X-ray powder diffraction
Sample: on cooling T = 105 C
_database_code_amcsd 0003718
8.39837 8.39837 8.39837 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
FeT   .125  .125  .125 .896 .0006
MgT   .125  .125  .125 .104 .0006
FeO     .5    .5    .5 .552 .0016
MgO     .5    .5    .5 .448 .0016
O    .2546 .2546 .2546      .0051
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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