Ballirano P, Maras A, Meloni S, Caminiti R
European Journal of Mineralogy 13 (2001) 985-993
The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate
_database_code_amcsd 0006909
12.0350 6.9294 12.6705 90 90.266 90 I2
atom x y z Biso
Ca1 0 .5 0 .91
Ca2 .5 .011 0 .91
Ca3 .2380 .199 .1677 .91
Ca4 .2217 .165 .6648 .91
S1 -.0016 .499 .2493 .75
S2 .2247 .164 .9183 .75
S3 .2282 .185 .4146 .75
O1 .127 .211 .984 .90
O2 .125 .230 .473 .90
O3 .074 .616 .315 .90
O4 .075 .620 .816 .90
O5 .196 .044 .332 .90
O6 .205 -.015 .858 .90
O7 .057 .366 .178 .90
O8 .058 .376 .673 .90
O9 .272 .359 .361 .90
O10 .238 .317 .838 .90
O11 .319 .161 .991 .90
O12 .308 .103 .491 .90
Wat1 0 .843 0 6.4
Wat2 .953 .004 .353 6.4
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