Materials Data on CaH2CO4 by Materials Project

Kristin Persson
CaCO3.H2O crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to eight O2- atoms to form a mixture of distorted corner and edge-sharing CaO8 hexagonal bipyramids. There are a spread of Ca–O bond distances ranging from 2.42–2.57 Å. In the second Ca2+ site, Ca2+ is bonded to eight O2- atoms to form a mixture of distorted corner and edge-sharing...
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