Monohydrocalcite Effenberger E Monatshefte fur Chemie 112 (1981) 899-909 Kristallstruktur und infrarot-absorptionsspektrum von synthetischem monohydrocalcit, CaCO3*H2O Substructure _database_code_amcsd 0014665 6.0931 6.0931 7.5446 90 90 120 P3_121 atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Ca .2769 0 1/3 1.23 .0122 .0090 .0083 .0090 -.0001 -.0002 C .7188 -.0261 .3636 .5 1.13 O1 .4560 .2744 .0696 1.60 .010 .012 .010 .006 .002 .002 O2 .0691 -.0504 .7856 .5 1.96 .006 .028 .010 .009 -.004 -.008 Ow .6027 0 5/6 1.76 .021 .013 .010 .013 .004 .008 H .552 .095 .916