U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on W3C by Materials Project
Abstract
CW3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded to eight W and four equivalent C atoms to form distorted WW8C4 cuboctahedra that share corners with twelve equivalent WW8C4 cuboctahedra, edges with eight equivalent WW8C4 cuboctahedra, edges with eight equivalent CW12 cuboctahedra, faces with four equivalent CW12 cuboctahedra, and faces with ten equivalent WW8C4 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.87 Å) W–W bond lengths. All W–C bond lengths are 2.87 Å. In the second W site, W is bonded in a square co-planar geometry to eight equivalent W and four equivalent C atoms. All W–C bond lengths are 2.50 Å. C is bonded to twelve W atoms to form distorted CW12 cuboctahedra that share corners with four equivalent CW12 cuboctahedra, edges with eight equivalent CW12 cuboctahedra, edges with sixteen equivalent WW8C4 cuboctahedra, faces with four equivalent CW12 cuboctahedra, and faces with eight equivalent WW8C4 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-979413
- 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; W3C; C-W
- OSTI Identifier:
- 1316128
- DOI:
- https://doi.org/10.17188/1316128
Citation Formats
The Materials Project. Materials Data on W3C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316128.
The Materials Project. Materials Data on W3C by Materials Project. United States. doi:https://doi.org/10.17188/1316128
The Materials Project. 2020.
"Materials Data on W3C by Materials Project". United States. doi:https://doi.org/10.17188/1316128. https://www.osti.gov/servlets/purl/1316128. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1316128,
title = {Materials Data on W3C by Materials Project},
author = {The Materials Project},
abstractNote = {CW3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded to eight W and four equivalent C atoms to form distorted WW8C4 cuboctahedra that share corners with twelve equivalent WW8C4 cuboctahedra, edges with eight equivalent WW8C4 cuboctahedra, edges with eight equivalent CW12 cuboctahedra, faces with four equivalent CW12 cuboctahedra, and faces with ten equivalent WW8C4 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.87 Å) W–W bond lengths. All W–C bond lengths are 2.87 Å. In the second W site, W is bonded in a square co-planar geometry to eight equivalent W and four equivalent C atoms. All W–C bond lengths are 2.50 Å. C is bonded to twelve W atoms to form distorted CW12 cuboctahedra that share corners with four equivalent CW12 cuboctahedra, edges with eight equivalent CW12 cuboctahedra, edges with sixteen equivalent WW8C4 cuboctahedra, faces with four equivalent CW12 cuboctahedra, and faces with eight equivalent WW8C4 cuboctahedra.},
doi = {10.17188/1316128},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}