American Mineralogist Crystal Structure Database

1 matching records for this search.

Epistolite
Download hom/epistolite.pdf
Sokolova E V, Hawthorne F C
Download cm/vol42/CM42_797.pdf
The Canadian Mineralogist 42 (2004) 797-806
The crystal chemistry of epistolite
_database_code_amcsd 0005940
5.460 7.170 12.041 103.63 96.01 89.98 P-1
atom        x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NbM1    .7033 .60465 .25966  .96 .0077  .0061  .0077  .0095 -.0008 -.0004  .0028
NbM11    .700   .799  .2568  .10   .05
Fe3+M1  .7033 .60465 .25966  .02 .0077  .0061  .0077  .0095 -.0008 -.0004  .0028
Ti4+M1  .7033 .60465 .25966  .02 .0077  .0061  .0077  .0095 -.0008 -.0004  .0028
Ti4+M2      0      0      0      .0175  .0196  .0096  .0217 -.0025 -.0094  .0054
NaA1    .5006  .2440 -.0000      .0178   .013   .017   .024 -.0009  .0033   .005
NaA2        0     .5      0  .92  .023   .023   .023   .025  -.001   .012   .006
NaA3    .2853 -.1172 -.2975 .435  .026   .022   .027   .027  -.003   .000   .004
CaA3    .2853 -.1172 -.2975 .135  .026   .022   .027   .027  -.003   .000   .004
Mn2+A3  .2853 -.1172 -.2975  .02  .026   .022   .027   .027  -.003   .000   .004
Si1    -.1954  .1152 -.2368      .0102  .0106  .0086  .0117  .0002  .0001  .0034
Si11     .447   .003   .274  .10   .05
Si2     .1947  .3064  .2364      .0106  .0080  .0093  .0143 -.0000 -.0003  .0033
Si21     .181   .490   .236  .10   .05
O1      .4530  .4206  .2788      .0211   .016   .020   .027  -.014  -.009   .010
O2      .4546  .8090  .2812       .027   .014   .036   .028   .006  -.002   .006
O3      .2084  .1165  .2896      .0175   .028   .008   .019   .000   .003   .007
O4      .1597 -.1589  .0984      .0155   .023   .012   .011   .001   .004   .001
O5     -.0375  .4228  .2861      .0211   .018   .023   .020   .003   .003   .002
O6      .1586  .2380  .0971      .0167   .022   .010   .018  -.000   .006   .000
O7      .0316  .1933 -.2897       .025   .025   .028   .022  -.011   .007   .006
OH8     .2750 -.0371 -.0928      .0103   .004   .012   .015  -.000   .001   .003
O9      .6844  .5436  .1079      .0184   .017   .024   .013   .001   .003   .000
Wat10    .736  .6799  .4619       .043   .056   .049   .022   .004   .008   .002
Wat11    .255  -.263 -.4825       .091   .028   .173   .096  -.000   .010   .078
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