Bassanite
	Bushuev N N
	Doklady Akademii Nauk SSSR 255 (1980) 1104-1109
	On the structural features of CaSO4*0,5H2O and CaSO4*0,67H2O
	_database_code_amcsd 0019825
	12.028 12.674 6.927 90 90 90.21 B2
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 .0004 .2504 -.0030 .0007 .0007 .0045 -.0002 -.0008 -.0005
	Ca2 .7370 .4148 .1942 .0013 .0004 .0074 .0010 .0021 .0027
	Ca3 .2819 .0855 .1592 .0013 .0011 .0087 .0001 -.0026 .0021
	S1 0 0 0 .0008 .0009 .0030 .0001 0 0
	S2 0 .5 -.0021 .0017 .0012 .0094 -.0005 0 0
	S3 .7251 .1631 .1916 .0015 .0014 .0062 -.0002 .0020 .0006
	S4 .2757 .3305 .1602 .0015 .0004 -.0031 .0003 -.0002 -.0019
	O1 .5604 .4287 .3682 .0005 .0024 .0099 .0006 .0050 -.0011
	O2 .9275 .4404 .1307 .0021 .0022 .0051 -.0025 .0026 .0028
	O3 .2920 .3883 -.0149 .0011 .0047 .0235 -.0039 .0040 .0113
	O4 .0752 .0708 .1114 .0030 .0002 .0070 -.0011 .0033 -.0044
	O5 .6272 .2283 .2346 .0029 .0021 .0144 .0018 .0013 -.0010
	O6 .3709 .2628 .2190 .0023 .0031 .0276 .0036 -.0011 .0062
	O7 .6943 .0863 .0319 .0021 .0048 .0104 .0027 -.0062 -.0127
	O8 .8247 .2395 .1295 .0007 .0011 .0094 -.0003 .0073 -.0010
	O9 .1913 .2607 .1480 .0022 .0023 .0193 -.0040 -.0031 .0031
	O10 .7467 .0902 .3292 .0018 .0018 .0074 .0012 .0002 -.0029
	O11 .2427 .4022 .3368 .0008 .0023 .0153 -.0002 .0054 -.0060
	O12 .4342 .0757 .3943 .0036 .0028 .0115 .0011 -.0006 .0041
	Wat13 .0006 .2519 .3467 .662 .0079 .0106 .0148 -.0062 .0061 .0098
	Wat14 .9427 .0584 .4955 .818 .0070 .0085 .0305 -.0015 .0010 -.0216
	Wat15 .0467 .3905 .4782 .505 .0130 .0035 .0177 .0080 -.0035 .0019
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