Materials Data on Ba2Cu(PO3)6 by Materials Project

Kristin Persson
Ba2Cu(PO3)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to eight O2- atoms to form distorted BaO8 hexagonal bipyramids that share corners with seven PO4 tetrahedra, an edgeedge with one BaO8 hexagonal bipyramid, and an edgeedge with one PO4 tetrahedra. There are a spread of Ba–O bond distances ranging from 2.75–3.13 Å. In the second Ba2+ site, Ba2+...
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