Materials Data on NiAsO3 by Materials Project
NiAsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni1+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent AsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.85 Å. As5+ is bonded to twelve equivalent O2- atoms to form distorted AsO12 cuboctahedra that share corners with twelve equivalent AsO12 cuboctahedra, faces with six equivalent AsO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All As–O bond lengths are 2.61 Å. O2- is bonded in a linear geometry to two equivalent Ni1+ and four equivalent As5+ 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:
- 1315328
- Report Number(s):
- mp-976763
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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