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 = 130 K Locality: unknown _database_code_amcsd 0008763 11.022 11.022 10.374 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 .19400 .98719 .25133 .00576 .00591 .00699 .00471 .00346 -.00031 .00013 Si 0 0 .00181 .00440 .0052 .0052 .0027 .00262 0 0 C 1/3 2/3 .4603 .0067 .0060 .0060 .0080 .0030 0 0 S 1/3 2/3 .98374 .0062 .0053 .0053 .0081 .00263 0 0 O1 .39117 .22671 .2510 .0132 .0071 .0106 .0209 .0036 -.0021 -.0013 O2 .26288 .40164 .2516 .0112 .0123 .0096 .0091 .0027 .0017 .0037 O3 .0044 .3391 .0695 .0100 .0092 .0067 .0134 .0035 .0004 .0036 O4 .0251 .3488 .4324 .0109 .0084 .0097 .0121 .0026 .0009 -.0032 O5 .2004 .6227 .45773 .0102 .0065 .0089 .0150 .0037 .0002 .0000 O6 .1914 .6230 .03244 .0104 .0076 .0104 .0124 .0040 .0028 .0014 O7 .1317 .1245 .1055 .0057 .0064 .0066 .0031 .0026 .0007 .0000 O8 .1313 .1247 .3958 .0061 .0038 .0047 .0067 .0000 .0004 .0000 O9 1/3 2/3 .8406 .0103 .0122 .0122 .0063 .0061 0 0 H74 .204 .184 .064 .013 H83 .194 .181 .436 .014 H12 .371 .285 .248 .017 H19 .472 .264 .267 .032 H25 .318 .475 .330 .04 H26 .287 .438 .200 .014 H35 .409 .073 .044 .029 H36 .062 .413 .054 .018 H45 .099 .452 .442 .028 H46 .389 .043 .439 .030