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

Abstract

Mg(BeN)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent N3- atoms to form MgN6 octahedra that share corners with twelve equivalent BeN4 tetrahedra, edges with six equivalent MgN6 octahedra, and edges with six equivalent BeN4 tetrahedra. All Mg–N bond lengths are 2.22 Å. Be2+ is bonded to four equivalent N3- atoms to form BeN4 tetrahedra that share corners with six equivalent MgN6 octahedra, corners with six equivalent BeN4 tetrahedra, edges with three equivalent MgN6 octahedra, and edges with three equivalent BeN4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–50°. There is three shorter (1.77 Å) and one longer (1.78 Å) Be–N bond length. N3- is bonded in a 7-coordinate geometry to three equivalent Mg2+ and four equivalent Be2+ atoms.

Publication Date:
Other Number(s):
mp-11917
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(BeN)2; Be-Mg-N
OSTI Identifier:
1188466
DOI:
https://doi.org/10.17188/1188466

Citation Formats

The Materials Project. Materials Data on Mg(BeN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188466.
The Materials Project. Materials Data on Mg(BeN)2 by Materials Project. United States. doi:https://doi.org/10.17188/1188466
The Materials Project. 2020. "Materials Data on Mg(BeN)2 by Materials Project". United States. doi:https://doi.org/10.17188/1188466. https://www.osti.gov/servlets/purl/1188466. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188466,
title = {Materials Data on Mg(BeN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(BeN)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent N3- atoms to form MgN6 octahedra that share corners with twelve equivalent BeN4 tetrahedra, edges with six equivalent MgN6 octahedra, and edges with six equivalent BeN4 tetrahedra. All Mg–N bond lengths are 2.22 Å. Be2+ is bonded to four equivalent N3- atoms to form BeN4 tetrahedra that share corners with six equivalent MgN6 octahedra, corners with six equivalent BeN4 tetrahedra, edges with three equivalent MgN6 octahedra, and edges with three equivalent BeN4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–50°. There is three shorter (1.77 Å) and one longer (1.78 Å) Be–N bond length. N3- is bonded in a 7-coordinate geometry to three equivalent Mg2+ and four equivalent Be2+ atoms.},
doi = {10.17188/1188466},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}