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

Dataset ·
DOI:https://doi.org/10.17188/1188466· OSTI ID:1188466

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1188466
Report Number(s):
mp-11917
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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