Materials Data on Ca3Al2H6S(OF)8 by Materials Project

Kristin Persson
Ca3Al2H6S(OF)8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to four O2- and four F1- atoms. There are two shorter (2.64 Å) and two longer (2.66 Å) Ca–O bond lengths. There are two shorter (2.29 Å) and two longer (2.32 Å) Ca–F bond lengths. In the second Ca2+ site, Ca2+ is bonded in a...
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