Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
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Tugtupite
Antao S M, Hassan I, Parise J B
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
Antao S M, Hassan I, Parise J B
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
Antao S M, Hassan I, Parise J B
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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Tugtupite
Hassan I, Grundy H D
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
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