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DOE OSTI · 1280136

Materials Data on BaP2(HO)4 by Materials Project

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Abstract

Ba(H2PO2)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two Ba(H2PO2)2 sheets oriented in the (0, 1, 0) direction. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.82 Å) and four longer (2.83 Å) Ba–O bond lengths. P1+ is bonded in a distorted tetrahedral geometry to two equivalent H1+ and two equivalent O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. H1+ is bonded in a single-bond geometry to one P1+ atom. O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P1+ atom.

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36 MATERIALS SCIENCEBa-H-O-PBaP2(HO)4crystal structure

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2020-07-18. Materials Data on BaP2(HO)4 by Materials Project. https://doi.org/10.17188/1280136

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