Thaumasite Jacobsen S D, Smyth J R, Swope R J Physics and Chemistry of Minerals 30 (2003) 321-329 Thermal expansion of hydrated six-coordinated silicon in thaumasite, Ca3Si(OH)6(CO3)(SO4).12H2O Sample: T = 298 K Locality: unknown _database_code_amcsd 0008764 11.0538 11.0538 10.4111 90 90 120 P6_3 atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca .19495 .98830 .25133 .01203 .01184 .01433 .01097 .00733 -.00018 .00019 Si 0 0 .00178 .00889 .00962 .00962 .00744 .00481 0 0 C 1/3 2/3 .4623 .0171 .0130 .0130 .0254 .0065 0 0 S 1/3 2/3 .98382 .01382 .01157 .01157 .0183 .00579 0 0 O1 .39147 .22797 .2552 .0292 .0167 .0199 .0470 .0062 -.0043 -.0005 O2 .26162 .40268 .2511 .0252 .0266 .0181 .0241 .0061 .0054 .0043 O3 .00286 .33941 .07047 .0229 .0193 .0167 .0315 .0081 -.0007 .0089 O4 .0246 .34872 .43169 .00233 .0195 .0200 .0291 .0087 .0030 -.0063 O5 .20088 .62300 .45809 .0257 .0149 .0230 .0386 .0091 .0004 -.0012 O6 .19215 .62270 .03198 .0236 .0152 .0234 .0314 .0092 .0050 .0025 O7 .13062 .12439 .10542 .0116 .0108 .0120 .0094 .0039 -.0003 -.0006 O8 .13044 .12471 .39610 .0118 .0114 .0106 .0112 .0038 .0007 .0011 O9 1/3 2/3 .84184 .0234 .0261 .0261 .0182 .01305 0 0 H74 .203 .179 .068 .030 H83 .196 .195 .431 .030 H12 .382 .291 .234 .042 H19 .477 .270 .276 .055 H25 .304 .465 .325 .021 H26 .300 .441 .201 .057 H35 .417 .076 .048 .017 H36 .069 .422 .056 .030 H45 .097 .451 .443 .046 H46 .386 .032 .434 .024