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American Mineralogist Crystal Structure Database

1 matching records for this search.

Shulamitite
  
Sharygin V V, Lazic B, Armbruster T M, Murashko M N, Wirth R, Galuskina I O,
Galuskin E V, Vapnik Y, Britvin S N, Logvinova A M
  
European Journal of Mineralogy 25 (2013) 97-111
Shulamitite Ca3TiFe3+AlO8 - a new perovskite-related mineral from Hatrurim Basin, Israel
Locality: Hatrurim Basin, Israel
_database_code_amcsd 0019802
5.4200 11.064 5.5383 90 90 90 Pmma
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   -.25 .31440 .27827      .0126  .0202  .0088  .0088      0      0 -.0002
Ca2    .25      0 -.2663      .0139  .0164  .0119  .0133      0      0      0
Ti     .25 .17018 .23942  .50 .0062  .0043  .0086  .0056      0      0  .0006
Fe     .25 .17018 .23942 .400 .0062  .0043  .0086  .0056      0      0  .0006
Al     .25 .17018 .23942 .100 .0062  .0043  .0086  .0056      0      0  .0006
Al2  .1998     .5  .1794 .312 .0064  .0073  .0041  .0078      0 -.0012      0
Fe2  .1998     .5  .1794 .188 .0064  .0073  .0041  .0078      0 -.0012      0
O1     .25  .3599  .3214      .0183  .0326  .0116  .0108      0      0  .0017
O2   .1362     .5 -.1110  .50 .0148   .019   .012   .013      0  -.004      0
O3       0  .1521     .5      .0118  .0112  .0107  .0134      0  .0035      0
O4     .25      0  .1722      .0130   .019  .0100  .0097      0      0      0
O5       0  .2023      0      .0143  .0138  .0155  .0137      0 -.0024      0


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