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DOE OSTI · 1325057

Materials Data on B2AsP by Materials Project

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Abstract

B2AsP is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. B3+ is bonded to two equivalent As3- and two equivalent P3- atoms to form corner-sharing BAs2P2 tetrahedra. Both B–As bond lengths are 2.06 Å. Both B–P bond lengths are 1.99 Å. As3- is bonded to four equivalent B3+ atoms to form AsB4 tetrahedra that share corners with four equivalent AsB4 tetrahedra and corners with eight equivalent PB4 tetrahedra. P3- is bonded to four equivalent B3+ atoms to form PB4 tetrahedra that share corners with four equivalent PB4 tetrahedra and corners with eight equivalent AsB4 tetrahedra.

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36 MATERIALS SCIENCEAs-B-PB2AsPcrystal structure

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2020-07-23. Materials Data on B2AsP by Materials Project. https://doi.org/10.17188/1325057

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