U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on W2C by Materials Project
Abstract
W2C is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. W2+ is bonded in a distorted T-shaped geometry to three C4- atoms. There are one shorter (2.11 Å) and two longer (2.13 Å) W–C bond lengths. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to six equivalent W2+ atoms to form corner-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second C4- site, C4- is bonded to six equivalent W2+ atoms to form a mixture of corner and edge-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 49°.
- Publication Date:
- Other Number(s):
- mp-567397
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-W; W2C; crystal structure
- OSTI Identifier:
- 1273849
- DOI:
- https://doi.org/10.17188/1273849
Citation Formats
Materials Data on W2C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1273849.
Materials Data on W2C by Materials Project. United States. doi:https://doi.org/10.17188/1273849
2020.
"Materials Data on W2C by Materials Project". United States. doi:https://doi.org/10.17188/1273849. https://www.osti.gov/servlets/purl/1273849. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1273849,
title = {Materials Data on W2C by Materials Project},
abstractNote = {W2C is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. W2+ is bonded in a distorted T-shaped geometry to three C4- atoms. There are one shorter (2.11 Å) and two longer (2.13 Å) W–C bond lengths. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to six equivalent W2+ atoms to form corner-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second C4- site, C4- is bonded to six equivalent W2+ atoms to form a mixture of corner and edge-sharing CW6 octahedra. The corner-sharing octahedral tilt angles are 49°.},
doi = {10.17188/1273849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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