American Mineralogist Crystal Structure Database

18 matching records for this search.

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
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 = 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
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 = 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
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
Hassan I, Grundy H D
Download cm/vol29/CM29_385.pdf
The Canadian Mineralogist 29 (1991) 385-390
The crystal structure and thermal expansion of tugtupite,
Na8[Al2Be2Si8O24]Cl2
_database_code_amcsd 0005268
8.640 8.640 8.873 90 90 90 I-4
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al       0   1/2   3/4  .0078  .0078  .0074      0      0      0
Be       0   1/2   1/4  .0086  .0086  .0123      0      0      0
Si   .0127 .2533 .4958  .0071  .0063  .0086 -.0002 -.0002 -.0003
O1   .1504 .1343 .4417  .0126  .0116  .0128  .0046  .0010  .0001
O2   .3472 .0385 .6488  .0107  .0119  .0132 -.0003 -.0035 -.0004
O3   .4256 .1486 .1377  .0112  .0114  .0135 -.0001  .0005  .0038
Na   .1563 .1972 .1818  .0206  .0160  .0199  .0007  .0024  .0012
Cl       0     0     0  .0228  .0228  .0244      0      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 18
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