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Title: 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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; W2C; C-W
OSTI Identifier:
1273849
DOI:
10.17188/1273849

Citation Formats

The Materials Project. Materials Data on W2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273849.
The Materials Project. Materials Data on W2C by Materials Project. United States. doi:10.17188/1273849.
The Materials Project. 2020. "Materials Data on W2C by Materials Project". United States. doi: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},
author = {The 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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