American Mineralogist Crystal Structure Database

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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
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 96.7 K
_database_code_amcsd 0018536
11.4401 11.4401 11.4401 90 90 90 Ia-3d
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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