U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ni2W3N by Materials Project
Abstract
W3Ni2N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. W is bonded in a distorted bent 150 degrees geometry to six equivalent Ni and two equivalent N atoms. There are a spread of W–Ni bond distances ranging from 2.75–2.83 Å. Both W–N bond lengths are 2.10 Å. Ni is bonded to nine equivalent W and three equivalent Ni atoms to form NiNi3W9 cuboctahedra that share corners with fifteen equivalent NiNi3W9 cuboctahedra, edges with three equivalent NW6 octahedra, faces with ten equivalent NiNi3W9 cuboctahedra, and faces with four equivalent NW6 octahedra. All Ni–Ni bond lengths are 2.49 Å. N is bonded to six equivalent W atoms to form distorted NW6 octahedra that share corners with six equivalent NW6 octahedra, edges with six equivalent NiNi3W9 cuboctahedra, and faces with eight equivalent NiNi3W9 cuboctahedra. The corner-sharing octahedral tilt angles are 26°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-505341
- 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; Ni2W3N; N-Ni-W
- OSTI Identifier:
- 1262497
- DOI:
- https://doi.org/10.17188/1262497
Citation Formats
The Materials Project. Materials Data on Ni2W3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262497.
The Materials Project. Materials Data on Ni2W3N by Materials Project. United States. doi:https://doi.org/10.17188/1262497
The Materials Project. 2020.
"Materials Data on Ni2W3N by Materials Project". United States. doi:https://doi.org/10.17188/1262497. https://www.osti.gov/servlets/purl/1262497. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1262497,
title = {Materials Data on Ni2W3N by Materials Project},
author = {The Materials Project},
abstractNote = {W3Ni2N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. W is bonded in a distorted bent 150 degrees geometry to six equivalent Ni and two equivalent N atoms. There are a spread of W–Ni bond distances ranging from 2.75–2.83 Å. Both W–N bond lengths are 2.10 Å. Ni is bonded to nine equivalent W and three equivalent Ni atoms to form NiNi3W9 cuboctahedra that share corners with fifteen equivalent NiNi3W9 cuboctahedra, edges with three equivalent NW6 octahedra, faces with ten equivalent NiNi3W9 cuboctahedra, and faces with four equivalent NW6 octahedra. All Ni–Ni bond lengths are 2.49 Å. N is bonded to six equivalent W atoms to form distorted NW6 octahedra that share corners with six equivalent NW6 octahedra, edges with six equivalent NiNi3W9 cuboctahedra, and faces with eight equivalent NiNi3W9 cuboctahedra. The corner-sharing octahedral tilt angles are 26°.},
doi = {10.17188/1262497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}