American Mineralogist Crystal Structure Database

1 matching records for this search.

Fluorvesuvianite
 
Britvin S N, Antonov A A, Krivovichev S V, Armbruster T, Burns P C, Chukanov N V
Download cm/vol41/CM41_1371.pdf
The Canadian Mineralogist 41 (2003) 1371-1380
Fluorvesuvianite, Ca19(Al,Mg,Fe)13[SiO4]10[Si2O7]4O(F,OH)9, a new mineral species
from Pitkaranta, Karelia, Russia: Description and crystal structure
Locality: Pitkaranta, Karelia, Russia
_database_code_amcsd 0005894
15.5295 15.5295 11.7808 90 90 90 *P4/nnc
.25 .25 .25
atom          x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1         3/4    1/4      0 .803 .0031  .0029  .0029  .0034      0      0      0
Si2      .81894 .04068 .87126      .0097  .0093  .0104  .0095  .0004  .0007  .0007
Si3      .91766 .84952 .36457      .0102  .0135  .0081  .0091 -.0012  .0002  .0008
Ca1         3/4    1/4    1/4      .0113  .0131  .0099  .0108      0      0      0
Ca2      .81096 .04346 .37980      .0111  .0095  .0128  .0109  .0010 -.0002  .0001
Ca3      .89923 .82022 .88711      .0156  .0132  .0130  .0207  .0020 -.0057 -.0026
Ca4         3/4    3/4  .1428  .50 .0140  .0140  .0140   .014      0      0      0
Fe1         3/4    3/4  .0500  .50 .0255  .0141  .0141   .048      0      0      0
Al2           0      0      0      .0103  .0095  .0067  .0148  .0013  .0019  .0003
Fe3      .88813 .12071 .12691 .046 .0080  .0087  .0084  .0070  .0004  .0017 -.0001
Al3      .88813 .12071 .12691 .780 .0080  .0087  .0084  .0070  .0004  .0017 -.0001
Mg3      .88813 .12071 .12691  .17 .0080  .0087  .0084  .0070  .0004  .0017 -.0001
O1        .7811  .1714  .0869      .0111   .010   .014   .009 -.0006  -.002 -.0042
O2        .8835  .1594  .2785      .0096   .012   .008   .009 -.0005  -.001  .0016
O3        .9504  .2782  .4233      .0104   .014   .009   .009 -.0025 -.0027 -.0034
O4        .1067 -.0627  .0296      .0106   .010   .009   .012 -.0033 -.0004  .0021
O5        .8305  .0148  .1782      .0121   .009   .012   .015  .0061  .0037  .0008
O6        .8823  .7288  .0590      .0148   .021   .010   .014  .0034   .003  .0025
O7        .0564  .1750  .3221      .0122   .011   .013   .013  .0016 -.0002  .0031
O8        .0906  .0610  .5661      .0104   .010   .009   .012 -.0008 -.0008 -.0028
O9        .8554  .8554    1/4      .0109  .0115  .0115   .010  -.002 -.0017  .0017
O10         3/4    3/4  .8642      .0146   .014   .014   .015      0      0      0
F11      -.0047  .0620  .1374  .72 .0166   .016   .020   .014 -.0006 -.0010 -.0030
O11      -.0047  .0620  .1374  .28 .0166   .016   .020   .014 -.0006 -.0010 -.0030
H           3/4    3/4    3/4       .080
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