Materials Data on Ca7(H6Cl)2 by Materials Project

Kristin Persson
Ca7(H6Cl)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are three shorter (2.23 Å) and six longer (2.53 Å) Ca–H bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to seven H1- and two equivalent Cl1- atoms. There are a spread of Ca–H bond...
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