Monohydrocalcite
Effenberger E
Monatshefte fur Chemie 112 (1981) 899-909
Kristallstruktur und infrarot-absorptionsspektrum von synthetischem
monohydrocalcit, CaCO3*H2O
Superstructure
_database_code_amcsd 0014666
10.5536 10.5536 7.5446 90 90 120 P3_1
atom     x     y     z Biso
Cal  .1853 .0879   1/3  1.4
Ca2  .8413 .4235 .3271  1.2
Ca3  .5259 .7641 .3398  0.3
C1    .092  .179  .965  1.6
C2    .750  .516  .038  0.9
C3    .429  .836  .973  2.0
O11   .206  .240  .064  1.6
O12   .020  .245  .936  1.6
O13   .885  .587  .088  0.9
O14   .701  .579  .936  0.9
O15   .547  .899  .066  2.0
O16   .370  .912  .927  2.0
O21   .060  .062  .879  1.6
O22   .660  .400  .123  0.9
O23   .401  .723  .879  2.0
Wat1  .392  .191  .835  0.6
Wat2  .066  .541  .824  1.6
Wat3  .748  .877  .849  1.3