American Mineralogist Crystal Structure Database

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Carlhintzeite
Download hom/carlhintzeite.pdf
Kampf A R, Colombo F, Gonzalez del Tanago J
 
Mineralogical Magazine 74 (2010) 623-632
Carlhintzeite, Ca2AlF7*H2O, from the Gigante granitic pegmatite,
Cordoba province, Argentina: description and crystal structure
Locality: Gigante pegmatite, Punilla Department, Cordoba Province, Argentina
_database_code_amcsd 0017800
9.4227 6.9670 9.2671 90.974 104.802 90.026 C-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .58447 .99988 .35406 .0124  .0111  .0142  .0121  .0001  .0035  .0003
Ca2  .15860 .00061 .20308 .0132  .0111  .0156  .0125  .0004  .0024  .0009
Al1      .5      0      0 .0118  .0120  .0153  .0082 -.0004  .0028  .0001
Al2       0      0     .5 .0104  .0082  .0137  .0096  .0009  .0028  .0009
F1    .3830  .0293  .1242 .0234  .0166  .0413  .0136 -.0004  .0063  .0000
F2    .6195  .1794  .1143 .0192  .0187  .0180  .0187 -.0001  .0010 -.0020
F3    .6020  .8208  .1247 .0178  .0226  .0137  .0145  .0013  .0002  .0008
F4    .8251  .0012  .3695 .0219  .0099  .0401  .0147  .0016  .0015  .0015
F5    .5654  .6760  .3878 .0169  .0235  .0136  .0173 -.0009  .0119  .0015
F6    .5626  .3232  .3821 .0175  .0235  .0158  .0162 -.0005  .0106 -.0003
F7    .3564  .9934  .3963 .0186  .0111  .0323  .0122  .0001  .0024  .0018
OWat  .8927  .9824  .0868 .0224  .0161  .0332  .0176 -.0001  .0036  .0019
H1     .852   .091   .104  .050
H2     .845   .882   .108  .050
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