Rapidcreekite
Cooper M A, Hawthorne F C
The Canadian Mineralogist 34 (1996) 99-106
The crystal structure of rapidcreekite, Ca2(SO4)(CO3)(H2O)4,
and its relation to the structure of gypsum
_database_code_amcsd 0005481
15.517 19.226 6.1646 90 90 90 Pcnb
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .3341 .2896 .2009  .0129  .0106  .0140  .0001  .0005 -.0005
Ca2  .3276 .0533 .1883  .0133  .0098  .0149 -.0003  .0004 -.0002
S    .1688 .4193 .0268  .0140  .0099  .0143 -.0020 -.0013 -.0021
C    .1914 .1739  .431  .0106  .0113  .0120  .0039 -.0024 -.0012
O1   .2247 .3589  .050  .0180  .0158  .0250  .0080 -.0069  .0032
O2   .2137 .2329  .357  .0185  .0090  .0175 -.0069  .0051  .0002
O3   .3898 .4039  .343  .0162  .0129  .0246 -.0027  .0040 -.0034
O4   .3712 .1714 .0735  .0165  .0118  .0171  .0008 -.0029 -.0037
O5   .2286 .1168  .383  .0184  .0109  .0216  .0007  .0088  .0029
O6   .2810 .4830  .484  .0235  .0103  .0160  .0023 -.0063  .0000
O7   .1181 .4321  .222  .0203  .0202  .0158 -.0025  .0065  .0001
Wat1 .0894 .2389  .013  .0186  .0231  .0248 -.0032 -.0004 -.0014
Wat2 .0478 .3236  .466  .0181  .0307  .0257 -.0052 -.0079  .0046
Wat3 .0746 .0196  .397  .0173  .0211  .0162 -.0053 -.0060  .0018
Wat4 .4341 .0914  .469  .0140  .0233  .0226 -.0016 -.0025  .0022