American Mineralogist Crystal Structure Database

1 matching records for this search.

Thomsenolite
Download hom/thomsenolite.pdf
Adhikesavalu D, Cameron T S, Knop O
 
Canadian Journal of Chemistry 63 (1985) 3322-3327
Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite
_database_code_amcsd 0012167
5.563 5.541 16.1150 90 96.35 90 P2_1/c
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .2545  .1454  .2484  .0153  .0193  .0136  .0057  .0011  .0014
Ca1  .1894  .6745  .0990  .0042  .0053  .0074 -.0004 -.0005  .0002
Al1  .7177  .1796  .1391  .0045  .0036  .0068  .0001 -.0014  .0006
F1   .5496  .4643  .1267  .0079  .0082  .0144  .0044 -.0010 -.0003
F2   .9880  .3651  .1563  .0058  .0097  .0140 -.0042  -.001  .0021
F3   .4408  .0102  .1273  .0084  .0114  .0145 -.0062  .0014 -.0012
F4   .9039 -.0834  .1576  .0096  .0076  .0134  .0047  .0014  .0008
F5   .6873  .1985  .2497  .0082  .0145  .0082  .0010 -.0004 -.0001
F6   .7357  .1668  .0294  .0121  .0088  .0099 -.0023  .0003  .0010
Ow1  .8008  .6599  .0059  .0094  .0078  .0136  .0013  .0002  .0013
H1    .735   .622  .0583
H2    .749  .8216 -.0127
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