Thaumasite Martucci A, Cruciani G Physics and Chemistry of Minerals 33 (2006) 723-731 In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 413 K _database_code_amcsd 0009049 11.0825 11.0825 10.4447 90 90 120 P6_3 atom x y z occ Uiso Ca .1975 .9909 .231 .019 Si 0 0 -.025 .023 C 1/3 2/3 .449 .003 S 1/3 2/3 .977 .042 O5 .2085 .6272 .456 .042 O6 .1954 .6296 .031 .024 O9 1/3 2/3 .832 .026 OH7 .1211 .1232 .080 .033 OH8 .1465 .1340 .372 .003 Wat1 .3927 .2367 .226 .98 .024 Wat2 .2555 .4080 .242 .96 .076 Wat3 -.0018 .3297 .044 .96 .002 Wat4 .0208 .3656 .390 .99 .028