Materials Data on MgSiN2 by Materials Project
MgSiN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent N3- atoms to form MgN6 octahedra that share corners with six equivalent SiN6 octahedra, edges with six equivalent MgN6 octahedra, and edges with six equivalent SiN6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Mg–N bond lengths are 2.17 Å. Si4+ is bonded to six equivalent N3- atoms to form SiN6 octahedra that share corners with six equivalent MgN6 octahedra, edges with six equivalent MgN6 octahedra, and edges with six equivalent SiN6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Si–N bond lengths are 1.94 Å. N3- is bonded to three equivalent Mg2+ and three equivalent Si4+ atoms to form a mixture of corner and edge-sharing NMg3Si3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1349835
- Report Number(s):
- mp-1017514
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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