American Mineralogist Crystal Structure Database

1 matching records for this search.

Hydrodresserite
Download hom/hydrodresserite.pdf
Szymanski J T
Download cm/vol20/CM20_253.pdf
The Canadian Mineralogist 20 (1982) 253-262
The crystal structure of hydrodresserite BaAl2(CO3)2(OH)4.3H2O
_database_code_amcsd 0005186
9.7545 10.4069 5.6322 95.695 92.273 115.643 P-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .14318 .18123 .21261        .0146  .0154  .0108  .0064  .0002 -.0010
Al1       0     .5     .5        .0108  .0123  .0040  .0068  .0014  .0018
Al2       0     .5      0        .0105  .0110  .0044  .0061  .0011  .0012
Al3      .5     .5      0        .0099  .0109  .0049  .0049  .0011  .0024
Al4      .5     .5     .5        .0101  .0107  .0041  .0046  .0005  .0011
C1    .0471  .2772  .7143        .0116  .0121  .0105  .0070  .0015  .0022
O1    .0403  .3368  .9245        .0172  .0141  .0066  .0092  .0018  .0015
O2    .0376  .3351  .5231        .0192  .0153  .0067  .0111  .0018  .0019
O3    .0660  .1642  .6941        .0292  .0181  .0136  .0176  .0048  .0032
C2    .3953  .2263  .6884        .0147  .0112  .0097  .0056  .0028  .0016
O4    .4185  .2917  .9048        .0205  .0127  .0078  .0068  .0010  .0022
O5    .4187  .2969  .5055        .0191  .0136  .0072  .0074  .0015  .0032
O6    .3513  .0926  .6517        .0521  .0095  .0204  .0097  .0139  .0027
O7    .1329  .5925  .7756        .0107  .0122  .0063  .0029  .0015  .0021
O8    .3833  .5120  .7457        .0107  .0194  .0076  .0105  .0014  .0025
O9    .1446  .5636  .2713        .0105  .0116  .0077  .0054  .0002  .0008
O10   .6400  .5367  .7661        .0086  .0149  .0067  .0069  .0006  .0021
O11   .1643  .9554  .9492        .0223  .0210  .0281  .0088  .0083  .0111
O12   .5764  .1591  .1717        .0442  .0400  .0404  .0246  .0036  .0077
O13   .3152  .8664  .3114        .0311  .0243  .0398  .0089  .0093 -.0016
H1     .174   .654   .784 .0097
H2     .327   .528   .749 .0126
H3     .179   .621   .288 .0099
H4     .678   .507   .773 .0101
H5     .220   .993   .869 .0238
H6     .202   .920   .029 .0238
H7     .521   .188   .119 .0415
H8     .581   .167   .319 .0415
H9     .329   .928   .419 .0317
H10    .404   .893   .261 .0317
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