American Mineralogist Crystal Structure Database

1 matching records for this search.

Eliseevite
 
Yakovenchuk V N, Ivanyuk G Y, Krivovichev S V, Pakhomovsky Y A, Selivanova E A,
Korchak J A, Men'shikov Y P, Drogobuzhskaya S V, Zalkind O A
 
American Mineralogist 96 (2011) 1624-1629
Eliseevite, Na1.5Li[Ti2Si4O12.5(OH)1.5]*2H2O, a new microporous titanosilicate
from the Lovozero alkaline massif (Kola Peninsula, Russia)
Locality: the Lovozero alkaline massif, Kola Peninsula, Russia
Note y-coordinate for O3 changed from .218 to reproduce reported bond lengths
_database_code_amcsd 0018483
27.483 8.669 5.246 90 90.782 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    .1655 .1972 -.3797 .75 .0252   .034  .0204  .0211  .0038  .0062 -.0032
Li        0 .3675    .25      .009   .002   .007   .019      0   .005      0
Ti    .1641 .4057  .1256     .0140  .0177  .0129  .0113  .0002 -.0001  .0007
Si1   .2659 .5897  .2901     .0124  .0172  .0114  .0087  .0001 -.0003 -.0001
Si2   .0910 .0990  .0307     .0259  .0234  .0197  .0347 -.0012 -.0006  .0006
O1    .2070 .5773  .2890     .0148   .020   .015  .0096 -.0013 -.0004  .0002
O2    .2873 .7602  .2663     .0170   .024   .014   .013 -.0029 -.0039 -.0011
O3    .1049 .0218  .3022      .048   .036   .044   .065   .001  -.007   .034
O4    .1331 .4340  .4235     .0165   .019   .020   .010 -.0022  .0024 -.0019
O5    .2873 .4920  .0490     .0148   .016   .019  .0096 -.0012  .0005 -.0035
O6    .1219 .2514 -.0083      .021   .030   .019   .015 -.0055  .0008 -.0012
OH7   .0329 .1310  .0142 .75  .041   .028   .055   .041   .013   .000   .010
O7    .0329 .1310  .0142 .25  .041   .028   .055   .041   .013   .000   .010
Wat8 -.0376 .3854  -.049      .144   .106   .105   .222  -.027   .105  -.045
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