Materials Data on Ba2CaP4(H3O8)2 by Materials Project

Kristin Persson
Ba2CaP4(H3O8)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.06 Å. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.29–2.42 Å. There are two inequivalent P5+ sites. In the first P5+...
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