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American Mineralogist Crystal Structure Database

1 matching records for this search.

Baotite
Download hom/baotite.pdf 
Nekrasov Yu V, Ponomarev V I, Simonov V I, Kheiker D M
  
Soviet Physics Crystallography 14 (1969) 508-514
Refinement of the atomic structure of baotite
and the isomorphic relationships in this mineral
_database_code_amcsd 0015552
19.99 19.99 5.908 90 90 90 *I4_1/a
0 .25 .125
atom      x      y      z occ Biso
Ba   .02947 .09737 .62138      .42
Ti1  .21264 .10787  .8699      .34
Ti2  .22174 .11789  .3728 .48  .39
Nb2  .22174 .11789  .3728 .36  .39
Fe2  .22174 .11789  .3728 .16  .39
Si   .09288 .18533  .1244      .28
O1    .0168  .1568  .1350      .60
O2    .1265  .1593  .8933      .40
O3    .1284  .1617  .3587      .48
O4    .1846  .0530  .1304      .53
O5    .1812  .0547  .6214      .59
O6    .2468  .1684  .1206      .55
O7    .2415  .1703  .6305      .50
Cl        0    .25   .625      .67


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