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
Caminiti R, Marongiu G, Paschina G
Zeitschrift fur Naturforschung A37 (1982) 581-586
A comparative X-ray diffraction study of aqueous MnSO4 and crystals of MnSO4*5H2O
Locality: synthetic
_database_code_amcsd 0015832
6.36 10.77 6.16 80.3 110.1 106.0 P-1
Mn1 0 0 0
Mn2 .5 .5 0
S .0345 .2886 .6593
O1 -.0646 .1536 .7206
O2 .2668 .3271 .8302
O3 -.1162 .3709 .6617
O4 .0582 .2975 .4260
Ow5 .8237 .0790 .1699
Ow6 .3242 .1178 .1912
Ow7 .4786 .4001 .3271
Ow8 .7669 .4035 .0331
Ow9 .4581 .1332 .6708
H54 .900 .147 .256 3.5
H59 .728 .025 .198 3.5
H62 .360 .114 .365 3.5
H69 .316 .188 .087 3.5
H73 .359 .386 .383 3.5
H74 .600 .388 .458 3.5
H83 .866 .374 .166 3.5
H84 .821 .387 -.063 3.5
H91 .635 .143 .728 3.5
H92 .384 .162 .748 3.5
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