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Title: Materials Data on Co3W9C4 by Materials Project

Abstract

Co3W9C4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a distorted T-shaped geometry to three equivalent W and three C atoms. There are one shorter (2.78 Å) and two longer (2.82 Å) W–W bond lengths. There are two shorter (2.12 Å) and one longer (2.21 Å) W–C bond lengths. In the second W site, W is bonded in a 10-coordinate geometry to eight W and two equivalent Co atoms. Both W–W bond lengths are 2.57 Å. Both W–Co bond lengths are 2.65 Å. Co is bonded in a 2-coordinate geometry to two equivalent W and two equivalent C atoms. Both Co–C bond lengths are 2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to six equivalent W atoms to form distorted edge-sharing CW6 pentagonal pyramids. In the second C site, C is bonded to four equivalent W and two equivalent Co atoms to form CCo2W4 octahedra that share corners with six equivalent CCo2W4 octahedra and edges with two equivalent CW6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 42–43°.

Publication Date:
Other Number(s):
mp-1226205
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; Co3W9C4; C-Co-W
OSTI Identifier:
1746918
DOI:
https://doi.org/10.17188/1746918

Citation Formats

The Materials Project. Materials Data on Co3W9C4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746918.
The Materials Project. Materials Data on Co3W9C4 by Materials Project. United States. doi:https://doi.org/10.17188/1746918
The Materials Project. 2020. "Materials Data on Co3W9C4 by Materials Project". United States. doi:https://doi.org/10.17188/1746918. https://www.osti.gov/servlets/purl/1746918. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746918,
title = {Materials Data on Co3W9C4 by Materials Project},
author = {The Materials Project},
abstractNote = {Co3W9C4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a distorted T-shaped geometry to three equivalent W and three C atoms. There are one shorter (2.78 Å) and two longer (2.82 Å) W–W bond lengths. There are two shorter (2.12 Å) and one longer (2.21 Å) W–C bond lengths. In the second W site, W is bonded in a 10-coordinate geometry to eight W and two equivalent Co atoms. Both W–W bond lengths are 2.57 Å. Both W–Co bond lengths are 2.65 Å. Co is bonded in a 2-coordinate geometry to two equivalent W and two equivalent C atoms. Both Co–C bond lengths are 2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to six equivalent W atoms to form distorted edge-sharing CW6 pentagonal pyramids. In the second C site, C is bonded to four equivalent W and two equivalent Co atoms to form CCo2W4 octahedra that share corners with six equivalent CCo2W4 octahedra and edges with two equivalent CW6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 42–43°.},
doi = {10.17188/1746918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}