Materials Data on NiAsSe by Materials Project
NiAsSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ni3+ is bonded to three equivalent As1- and three equivalent Se2- atoms to form NiAs3Se3 octahedra that share corners with twelve equivalent NiAs3Se3 octahedra, corners with three equivalent SeNi3As tetrahedra, and corners with three equivalent AsNi3Se trigonal pyramids. The corner-sharing octahedra tilt angles range from 63–64°. All Ni–As bond lengths are 2.42 Å. All Ni–Se bond lengths are 2.46 Å. As1- is bonded to three equivalent Ni3+ and one Se2- atom to form AsNi3Se trigonal pyramids that share corners with three equivalent NiAs3Se3 octahedra, corners with nine equivalent SeNi3As tetrahedra, and corners with six equivalent AsNi3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. The As–Se bond length is 2.49 Å. Se2- is bonded to three equivalent Ni3+ and one As1- atom to form SeNi3As tetrahedra that share corners with three equivalent NiAs3Se3 octahedra, corners with six equivalent SeNi3As tetrahedra, and corners with nine equivalent AsNi3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.
- 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:
- 1187391
- Report Number(s):
- mp-10846
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on CoAsSe by Materials Project
Materials Data on NiSbSe by Materials Project