American Mineralogist Crystal Structure Database

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Paracoquimbite
Download hom/paracoquimbite.pdf
Robinson P D, Fang J H
Download am/vol56/AM56_1567.pdf
American Mineralogist 56 (1971) 1567-1572
Crystal structures and mineral chemistry of hydrated ferric sulphates: II. The
crystal structure of paracoquimbite
_database_code_amcsd 0000261
10.926 10.926 51.300 90 90 120 R-3
atom    x     y     z Biso
Fe1     0     0     0  3.4
Fe2     0     0    .5  3.6
Fe3     0     0 .2507  3.2
Fe4     0     0 .1677  3.2
Fe5     0     0 .6652  3.5
S1   .249 .4169 .8756  1.8
S2   .584 .7554 .9593  1.8
O1   .325  .349 .8650  2.4
O2   .655  .682 .9697  2.7
O3   .114  .310 .8865  2.5
O4   .685  .892 .9486  2.4
O5   .223  .493 .8545  2.1
O6   .504  .778 .9807  2.1
O7   .339  .520 .8960  1.7
O8   .481  .662 .9388  2.0
OH9  .171  .073 .8553  2.5
OH10 .929  .826 .9787  2.9
OH11 .446  .114 .9016  2.8
OH12 .886  .550 .9290  2.7
OH13 .596  .434 .8552  2.7
OH14 .575  .410 .9755  2.9
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