Bassanite Schmidt H, Paschke I, Freyer D, Voigt W Acta Crystallographica B67 (2011) 467-475 Water channel structure of bassanite at high air humidity: crystal structure of CaSO4*0.625H2O Note: ambient conditions Locality: synthetic _database_code_amcsd 0019833 17.5180 6.92910 12.0344 90 133.655 90 C2 atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca1 .33496 .29588 .57126 .0128 .0062 .0164 .0127 -.0001 .0053 -.0024 Ca2 -.16388 .34101 .05509 .01086 .0080 .0111 .0109 -.0007 .0056 .0005 Ca3 0 .5050 .5 .0118 .0070 .0190 .0077 .000 .0044 .000 Ca4 0 .0014 0 .0118 .0060 .0197 .0076 .000 .0039 .000 S1 .08626 .3120 .31005 .0102 .0064 .0134 .0092 -.0003 .0048 .0005 S2 .24834 .0029 .24705 .0084 .0032 .0177 .0050 .0009 .0031 .0011 S3 .57935 .3338 .80377 .0096 .0063 .0130 .0084 .0013 .0045 .0028 O1 .0134 .3877 .3186 .0125 .0132 .0142 .0117 -.0004 .0092 -.0024 O2 .0272 .2603 .1521 .0164 .0094 .0205 .0148 -.0002 .0066 -.0023 O3 .1466 .1475 .4151 .0177 .0103 .0188 .0150 .0090 .0053 .0083 O4 .1659 .4619 .3609 .0141 .0116 .0064 .0208 -.0030 .0099 -.0024 O5 .1720 .1210 .1076 .0141 .0088 .0163 .0125 .0044 .0055 .0063 O6 .1830 .3859 .7602 .0146 .0078 .0190 .0183 -.0057 .0095 -.0018 O7 .3192 .1274 .3843 .0146 .0130 .0145 .0137 -.0025 .0083 -.0062 O8 .6651 .1904 .9036 .0140 .0011 .0146 .0145 .0028 .0010 .0029 O9 .6290 .5187 .8348 .0197 .0172 .0176 .0212 -.0073 .0120 -.0043 O10 .5120 .3333 .8354 .0165 .0122 .019 .0133 .0029 .0069 -.0037 O11 .5122 .2868 .6418 .0153 .0146 .0134 .0132 -.0033 .0078 -.0030 O12 .3171 .3751 .7433 .0144 .0048 .0167 .0171 .0036 .0058 -.0011 O13 0 .1599 .5 .0355 .058 .019 .033 .000 .033 .000 O14 -.1689 .5093 -.1181 .0667 .161 .0177 .084 .017 .109 .0137 H1 -.185 .603 -.151 .100 H2 -.198 .472 -.199 .100 H3 .017 .100 .550 .100