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Title: Materials Data on Mg(BeP)2 by Materials Project

Abstract

Mg(BeP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent P3- atoms to form MgP6 octahedra that share corners with twelve equivalent BeP4 tetrahedra, edges with six equivalent MgP6 octahedra, and edges with six equivalent BeP4 tetrahedra. All Mg–P bond lengths are 2.68 Å. Be2+ is bonded to four equivalent P3- atoms to form BeP4 tetrahedra that share corners with six equivalent MgP6 octahedra, corners with six equivalent BeP4 tetrahedra, edges with three equivalent MgP6 octahedra, and edges with three equivalent BeP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.21 Å) and one longer (2.23 Å) Be–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Mg2+ and four equivalent Be2+ atoms.

Publication Date:
Other Number(s):
mp-1017628
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg(BeP)2; Be-Mg-P
OSTI Identifier:
1349846
DOI:
10.17188/1349846

Citation Formats

The Materials Project. Materials Data on Mg(BeP)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349846.
The Materials Project. Materials Data on Mg(BeP)2 by Materials Project. United States. doi:10.17188/1349846.
The Materials Project. 2020. "Materials Data on Mg(BeP)2 by Materials Project". United States. doi:10.17188/1349846. https://www.osti.gov/servlets/purl/1349846. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1349846,
title = {Materials Data on Mg(BeP)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(BeP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent P3- atoms to form MgP6 octahedra that share corners with twelve equivalent BeP4 tetrahedra, edges with six equivalent MgP6 octahedra, and edges with six equivalent BeP4 tetrahedra. All Mg–P bond lengths are 2.68 Å. Be2+ is bonded to four equivalent P3- atoms to form BeP4 tetrahedra that share corners with six equivalent MgP6 octahedra, corners with six equivalent BeP4 tetrahedra, edges with three equivalent MgP6 octahedra, and edges with three equivalent BeP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.21 Å) and one longer (2.23 Å) Be–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Mg2+ and four equivalent Be2+ atoms.},
doi = {10.17188/1349846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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