U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Be-Mg-N; Mg(BeN)2; crystal structure
- OSTI Identifier:
- 1188466
- DOI:
- https://doi.org/10.17188/1188466
Citation Formats
Materials Data on Mg(BeN)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1188466.
Materials Data on Mg(BeN)2 by Materials Project. United States. doi:https://doi.org/10.17188/1188466
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 04:00:00 UTC 2020
@article{osti_1188466,
title = {Materials Data on Mg(BeN)2 by 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}
}