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DOE OSTI · 1676677

Materials Data on LaSiP3 by Materials Project

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Abstract

LaSiP2P crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight lantano molecules; eight phosphane molecules; and two SiP2 sheets oriented in the (0, 0, 1) direction. In each SiP2 sheet, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.20–2.27 Å. There are two inequivalent P+0.33+ sites. In the first P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three equivalent Si4- atoms. In the second P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom.

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36 MATERIALS SCIENCEcrystal structureLa-P-SiLaSiP3

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2020-04-30. Materials Data on LaSiP3 by Materials Project. https://doi.org/10.17188/1676677

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