U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrMg2N2 by Materials Project
Abstract
SrMg2N2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form SrN6 octahedra that share corners with twelve equivalent MgN4 tetrahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent MgN4 tetrahedra. All Sr–N bond lengths are 2.76 Å. Mg2+ is bonded to four equivalent N3- atoms to form MgN4 tetrahedra that share corners with six equivalent SrN6 octahedra, corners with six equivalent MgN4 tetrahedra, edges with three equivalent SrN6 octahedra, and edges with three equivalent MgN4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°. There are three shorter (2.18 Å) and one longer (2.25 Å) Mg–N bond lengths. N3- is bonded in a 7-coordinate geometry to three equivalent Sr2+ and four equivalent Mg2+ atoms.
- Publication Date:
- Other Number(s):
- mp-10550
- 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; Mg-N-Sr; SrMg2N2; crystal structure
- OSTI Identifier:
- 1187193
- DOI:
- https://doi.org/10.17188/1187193
Citation Formats
Materials Data on SrMg2N2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187193.
Materials Data on SrMg2N2 by Materials Project. United States. doi:https://doi.org/10.17188/1187193
2020.
"Materials Data on SrMg2N2 by Materials Project". United States. doi:https://doi.org/10.17188/1187193. https://www.osti.gov/servlets/purl/1187193. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1187193,
title = {Materials Data on SrMg2N2 by Materials Project},
abstractNote = {SrMg2N2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form SrN6 octahedra that share corners with twelve equivalent MgN4 tetrahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent MgN4 tetrahedra. All Sr–N bond lengths are 2.76 Å. Mg2+ is bonded to four equivalent N3- atoms to form MgN4 tetrahedra that share corners with six equivalent SrN6 octahedra, corners with six equivalent MgN4 tetrahedra, edges with three equivalent SrN6 octahedra, and edges with three equivalent MgN4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°. There are three shorter (2.18 Å) and one longer (2.25 Å) Mg–N bond lengths. N3- is bonded in a 7-coordinate geometry to three equivalent Sr2+ and four equivalent Mg2+ atoms.},
doi = {10.17188/1187193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}