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DOE OSTI · 1330030

Materials Data on Ba3P2 by Materials Project

Abstract

Ba3P2 is alpha Rhenium trioxide-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one phosphine molecule and one Ba3P framework. In the Ba3P framework, Ba2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ba–P bond lengths are 3.02 Å. P3- is bonded to six equivalent Ba2+ atoms to form corner-sharing PBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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2020-07-23. Materials Data on Ba3P2 by Materials Project. https://doi.org/10.17188/1330030

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36 MATERIALS SCIENCE↗