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Pyrope |
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
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pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
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Note: T = 96.7 K |
|
_database_code_amcsd 0018536 |
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11.4401 11.4401 11.4401 90 90 90 Ia-3d |
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atom x y z occ Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg .1267 .0060 .2512 .25 .0036 |
|
Al 0 0 0 .00292 .440 .440 .440 .004 .004 .004 |
|
Si .375 0 .25 .00257 .349 .407 .407 0 0 0 |
|
O -.03290 .05061 .15333 .00383 .552 .652 .531 -.072 .106 .028 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 122.3 K |
|
_database_code_amcsd 0018537 |
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11.4425 11.4425 11.4425 90 90 90 Ia-3d |
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atom x y z Uiso |
|
Mg .125 0 .25 .00540 |
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Al 0 0 0 .00279 |
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Si .375 0 .25 .00267 |
|
O -.03294 .05040 .15337 .00388 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 173.7 K |
|
_database_code_amcsd 0018538 |
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11.4450 11.4450 11.4450 90 90 90 Ia-3d |
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atom x y z Uiso |
|
Mg .125 0 .25 .00662 |
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Al 0 0 0 .00307 |
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Si .375 0 .25 .00293 |
|
O -.03298 .05053 .15350 .00422 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 223.3 K |
|
_database_code_amcsd 0018539 |
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11.4508 11.4508 11.4508 90 90 90 Ia-3d |
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atom x y z Uiso |
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Mg .125 0 .25 .00777 |
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Al 0 0 0 .00352 |
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Si .375 0 .25 .00317 |
|
O -.03303 .05037 .15341 .00472 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 273.6 K |
|
_database_code_amcsd 0018540 |
|
11.4548 11.4548 11.4548 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .00901 |
|
Al 0 0 0 .00399 |
|
Si .375 0 .25 .00372 |
|
O -.03295 .05044 .15340 .00540 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 295 K |
|
_database_code_amcsd 0018541 |
|
11.4572 11.4572 11.4572 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .00963 |
|
Al 0 0 0 .00410 |
|
Si .375 0 .25 .00380 |
|
O -.03302 .05020 .15336 .00571 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 322.8 K |
|
_database_code_amcsd 0018542 |
|
11.4592 11.4592 11.4592 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .01033 |
|
Al 0 0 0 .00443 |
|
Si .375 0 .25 .00414 |
|
O -.03301 .05015 .15344 .00613 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 373.5 K |
|
_database_code_amcsd 0018543 |
|
11.4641 11.4641 11.4641 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .01166 |
|
Al 0 0 0 .00484 |
|
Si .375 0 .25 .00446 |
|
O -.03303 .05010 .15351 .00672 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 423.3 K |
|
_database_code_amcsd 0018544 |
|
11.4690 11.4690 11.4690 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .01293 |
|
Al 0 0 0 .00553 |
|
Si .375 0 .25 .00509 |
|
O -.03309 .05018 .15367 .00743 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 472.6 K |
|
_database_code_amcsd 0018545 |
|
11.4730 11.4730 11.4730 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .01433 |
|
Al 0 0 0 .00591 |
|
Si .375 0 .25 .00544 |
|
O -.03309 .04999 .15356 .00816 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 523.0 K |
|
_database_code_amcsd 0018546 |
|
11.4801 11.4801 11.4801 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .01527 |
|
Al 0 0 0 .00630 |
|
Si .375 0 .25 .00568 |
|
O -.03313 .04987 .15345 .00868 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 572.9 K |
|
_database_code_amcsd 0018547 |
|
11.4848 11.4848 11.4848 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .01644 |
|
Al 0 0 0 .00667 |
|
Si .375 0 .25 .00614 |
|
O -.03317 .04982 .15357 .00926 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 622.9 K |
|
_database_code_amcsd 0018548 |
|
11.4893 11.4893 11.4893 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .01767 |
|
Al 0 0 0 .00724 |
|
Si .375 0 .25 .00652 |
|
O -.03317 .04966 .15359 .00998 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 672.9 K |
|
_database_code_amcsd 0018549 |
|
11.4960 11.4960 11.4960 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .01898 |
|
Al 0 0 0 .00773 |
|
Si .375 0 .25 .00689 |
|
O -.03314 .04968 .15356 .01072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 723.0 K |
|
_database_code_amcsd 0018550 |
|
11.5023 11.5023 11.5023 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .02058 |
|
Al 0 0 0 .00825 |
|
Si .375 0 .25 .00735 |
|
O -.03323 .04949 .15357 .01153 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 773.1 K |
|
_database_code_amcsd 0018551 |
|
11.5078 11.5078 11.5078 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .02178 |
|
Al 0 0 0 .00879 |
|
Si .375 0 .25 .00793 |
|
O -.03321 .04947 .15363 .01219 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 823.1 K |
|
_database_code_amcsd 0018552 |
|
11.5136 11.5136 11.5136 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .02292 |
|
Al 0 0 0 .00932 |
|
Si .375 0 .25 .00804 |
|
O -.03330 .04901 .15374 .01286 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 873.1 K |
|
_database_code_amcsd 0018553 |
|
11.5195 11.5195 11.5195 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .02419 |
|
Al 0 0 0 .00990 |
|
Si .375 0 .25 .00878 |
|
O -.03325 .04934 .15359 .01371 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 922.9 K |
|
_database_code_amcsd 0018554 |
|
11.5244 11.5244 11.5244 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .02518 |
|
Al 0 0 0 .01042 |
|
Si .375 0 .25 .00940 |
|
O -.03328 .04926 .15366 .01437 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A |
| |
American Mineralogist 96 (2011) 1593-1605 |
|
Static disorders of atoms and experimental determination of Debye temperature in |
|
pyrope: Low- and high-temperature single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
Note: T = 972.9 K |
|
_database_code_amcsd 0018555 |
|
11.5291 11.5291 11.5291 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Mg .125 0 .25 .02627 |
|
Al 0 0 0 .01077 |
|
Si .375 0 .25 .00985 |
|
O -.03323 .04926 .15366 .01498 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
LaAlO3 |
| |
Nakatsuka A, Ohtaka O, Arima H, Nakayama N, Mizota T |
 |
Acta Crystallographica E61 (2005) i148-i150 |
|
Cubic phase of single-crystal LaAlO3 perovskite synthesized at |
|
4.5 GPa and 1273 K |
|
Locality: synthetic |
|
_database_code_amcsd 0010454 |
|
3.7913 3.7913 3.7913 90 90 90 Pm-3m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La 0 0 0 .004299 .00430 .0043 .0043 0 0 0 |
|
Al .5 .5 .5 .00377 .00380 .0038 .0038 0 0 0 |
|
O 0 .5 .5 .01400 .0027 .0197 .0197 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
|
| |
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