American Mineralogist Crystal Structure Database

1 matching records for this search.

Minasragrite
Download hom/minasragrite.pdf
Tachez M, Theobald F R, Watson K J, Mercier R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=1545
Acta Crystallographica B35 (1979) 1545-1550
Redetermination de la structure du sulfate de vanadyle pentahydrate VOSO4*5H2O
Locality: synthetic
Note: anisoB's from ICSD
_database_code_amcsd 0009674
6.976 9.716 12.902 90 110.90 90 P2_1/c
atom      x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
V     .3352 .2271  .1475 1.00  .0052  .0029  .0018  .0005  .0023 -.0002
S     .0173 .4486   .176 1.22  .0062  .0032  .0025  .0017  .0033 -.0003
O1    .4224 .2061  .2778 2.13  .0128  .0071  .0025  .0011  .0033 -.0002
O2    .2487 .2477 -.0318 1.93  .0161  .0041  .0023  .0008  .0033  .0007
O3    .0694 .3194  .1281 1.57  .0065  .0036  .0040  .0005  .0043 -.0024
O4    .4605 .4111  .1399 2.12  .0090  .0037  .0066 -.0020  .0091 -.0014
O5    .5742 .1296  .1263 2.28  .0104  .0083  .0038  .0095  .0064  .0035
O6    .1720 .0527  .1048 1.79  .0129  .0033  .0040 -.0023  .0082 -.0013
O7    .0391 .4228  .2912 2.69  .0210  .0080  .0032  .0129  .0090  .0025
O8   -.1947 .4821  .1094 1.82  .0061  .0047  .0045  .0023  .0038  .0018
O9    .1569 .5579  .1706 2.11  .0094  .0042  .0055 -.0029  .0057 -.0017
O10   .7252 .3141  .4682 2.01  .0111  .0052  .0035 -.0002  .0033  .0003
H12    .194  .303   .421    4
H22    .225  .176   .445  5.3
H14    .396  .473   .143  3.8
H24    .577  .432   .133  5.7
H15    .605  .150   .076  3.6
H25    .679  .111   .189  6.1
H16    .111  .021   .146  3.9
H26    .214 -.013   .077    4
H110   .654  .276   .416  3.8
H210   .827  .262   .497  5.3
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