U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaNiAsO4 by Materials Project
Abstract
NaNi(AsO4) crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.23–2.91 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent AsO4 tetrahedra and edges with three equivalent NiO6 octahedra. There are three shorter (2.07 Å) and three longer (2.09 Å) Ni–O bond lengths. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. There is one shorter (1.68 Å) and three longer (1.74 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Ni2+, and one As5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Na1+ and one As5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-565699
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; NaNiAsO4; As-Na-Ni-O
- OSTI Identifier:
- 1273131
- DOI:
- https://doi.org/10.17188/1273131
Citation Formats
The Materials Project. Materials Data on NaNiAsO4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1273131.
The Materials Project. Materials Data on NaNiAsO4 by Materials Project. United States. doi:https://doi.org/10.17188/1273131
The Materials Project. 2017.
"Materials Data on NaNiAsO4 by Materials Project". United States. doi:https://doi.org/10.17188/1273131. https://www.osti.gov/servlets/purl/1273131. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1273131,
title = {Materials Data on NaNiAsO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNi(AsO4) crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.23–2.91 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent AsO4 tetrahedra and edges with three equivalent NiO6 octahedra. There are three shorter (2.07 Å) and three longer (2.09 Å) Ni–O bond lengths. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. There is one shorter (1.68 Å) and three longer (1.74 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Ni2+, and one As5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Na1+ and one As5+ atom.},
doi = {10.17188/1273131},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}