|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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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