American Mineralogist Crystal Structure Database

1 matching records for this search.

Natrotitanite
 
Stepanov A V, Bekenova G K, Levin V L, Hawthorne F C
 
Mineralogical Magazine 76 (2012) 37-44
Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the
Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district,
Kazakhstan: description and crystal structure
Locality: Verkhnee Espe deposit, Kazakhstan
_database_code_amcsd 0018669
6.5691 8.6869 7.0924 90 114.1269 90 C2/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
Na        0 .16960    .75 .39 .01673  .0085  .0078  .0267       0 -.00015      0
Ca        0 .16960    .75 .32 .01673  .0085  .0078  .0267       0 -.00015      0
Y         0 .16960    .75 .15 .01673  .0085  .0078  .0267       0 -.00015      0
Dy        0 .16960    .75 .03 .01673  .0085  .0078  .0267       0 -.00015      0
Yb        0 .16960    .75 .03 .01673  .0085  .0078  .0267       0 -.00015      0
Er        0 .16960    .75 .03 .01673  .0085  .0078  .0267       0 -.00015      0
Ce        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Ho        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Tm        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Gd        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Nd        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Ti        0     .5      0 .94 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Nb        0     .5      0 .02 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Sn        0     .5      0 .01 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Fe        0     .5      0 .01 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Mn        0     .5      0 .01 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
V         0     .5      0 .01 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Si        0 .18221    .25     .00775  .0065  .0075  .0092       0   .0032      0
O1        0 .57186    .25 .83  .0102  .0135  .0094  .0083       0   .0049      0
F1        0 .57186    .25 .17  .0102  .0135  .0094  .0083       0   .0049      0
O2   .18651 .06603 .40948      .0121  .0082  .0135  .0131   .0017   .0026  .0028
O3   .10171 .28936 .11898      .0124  .0128  .0100  .0173   .0015   .0091  .0037
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