American Mineralogist Crystal Structure Database

1 matching records for this search.

Phase A
 
Holl C M, Smyth J R, Manghnani M H, Amulele G M,
Sekar M, Frost D J, Prakapenka V B, Shen G
 
Physics and Chemistry of Minerals 33 (2006) 192-199
Crystal structure and compression of an iron-bearing Phase A to 33 GPa
_database_code_amcsd 0009025
7.8678 7.8678 9.5771 90 90 120 P6_3
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1  .37273 .45537  .3843 .981 .0045  .0028  .0040  .0067  .0017 -.0024 -.0005
Fe1  .37273 .45537  .3843 .019 .0045  .0028  .0040  .0067  .0017 -.0024 -.0005
Mg2  .22477 .24370  .1120 .983 .0035  .0026  .0024  .0048  .0007 -.0003 -.0010
Fe2  .22477 .24370  .1120 .017 .0035  .0026  .0024  .0048  .0007 -.0003 -.0010
Mg3     1/3    2/3  .1020 .325 .0132  .0129  .0129  .0139  .0065      0      0
Fe3     1/3    2/3  .1020 .009 .0132  .0129  .0129  .0139  .0065      0      0
Si1     2/3    1/3  .1730      .0026  .0017  .0018  .0044  .0009      0      0
Si2       0      0  .4007      .0041  .0042  .0042  .0040  .0021      0      0
O1    .2013  .0276 -.0230      .0047  .0046  .0027  .0074  .0024  .0014  .0003
O2    .4761  .0988  .4842      .0057  .0039  .0038  .0091  .0016 -.0013  .0000
O3    .4541  .2936  .2328      .0063  .0057  .0077  .0056  .0034  .0044 -.0018
O4    .1703  .4364  .2394      .0059  .0063  .0046  .0056  .0019 -.0017  .0012
O5      2/3    1/3      0      .0036  .0024  .0024  .0060  .0012      0      0
O6        0      0  .2329      .0057  .0048  .0048  .0076  .0024      0      0
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