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Title: Materials Data on Ni2W4C by Materials Project

Abstract

Ni2W4C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a 2-coordinate geometry to four equivalent Ni and two equivalent C atoms. There are two shorter (2.68 Å) and two longer (2.88 Å) W–Ni bond lengths. Both W–C bond lengths are 2.14 Å. In the second W site, W is bonded in a 6-coordinate geometry to six equivalent Ni atoms. All W–Ni bond lengths are 2.45 Å. Ni is bonded in a 12-coordinate geometry to nine W and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.67 Å. C is bonded to six equivalent W atoms to form corner-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 41°.

Authors:
Publication Date:
Other Number(s):
mp-974038
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; Ni2W4C; C-Ni-W
OSTI Identifier:
1314398
DOI:
https://doi.org/10.17188/1314398

Citation Formats

The Materials Project. Materials Data on Ni2W4C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314398.
The Materials Project. Materials Data on Ni2W4C by Materials Project. United States. doi:https://doi.org/10.17188/1314398
The Materials Project. 2020. "Materials Data on Ni2W4C by Materials Project". United States. doi:https://doi.org/10.17188/1314398. https://www.osti.gov/servlets/purl/1314398. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1314398,
title = {Materials Data on Ni2W4C by Materials Project},
author = {The Materials Project},
abstractNote = {Ni2W4C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a 2-coordinate geometry to four equivalent Ni and two equivalent C atoms. There are two shorter (2.68 Å) and two longer (2.88 Å) W–Ni bond lengths. Both W–C bond lengths are 2.14 Å. In the second W site, W is bonded in a 6-coordinate geometry to six equivalent Ni atoms. All W–Ni bond lengths are 2.45 Å. Ni is bonded in a 12-coordinate geometry to nine W and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.67 Å. C is bonded to six equivalent W atoms to form corner-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 41°.},
doi = {10.17188/1314398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}