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Title: Materials Data on Cr20(WC2)3 by Materials Project

Abstract

Cr20(WC2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. All W–Cr bond lengths are 2.60 Å. In the second W site, W is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. All W–Cr bond lengths are 2.50 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded to one W and three equivalent C atoms to form a mixture of distorted corner and edge-sharing CrWC3 tetrahedra. All Cr–C bond lengths are 2.10 Å. In the second Cr site, Cr is bonded in a distorted bent 150 degrees geometry to one W and two equivalent C atoms. Both Cr–C bond lengths are 2.15 Å. C is bonded in a 8-coordinate geometry to eight Cr atoms.

Publication Date:
Other Number(s):
mp-1193668
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; Cr20(WC2)3; C-Cr-W
OSTI Identifier:
1699536
DOI:
https://doi.org/10.17188/1699536

Citation Formats

The Materials Project. Materials Data on Cr20(WC2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699536.
The Materials Project. Materials Data on Cr20(WC2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1699536
The Materials Project. 2020. "Materials Data on Cr20(WC2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1699536. https://www.osti.gov/servlets/purl/1699536. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1699536,
title = {Materials Data on Cr20(WC2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr20(WC2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. All W–Cr bond lengths are 2.60 Å. In the second W site, W is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. All W–Cr bond lengths are 2.50 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded to one W and three equivalent C atoms to form a mixture of distorted corner and edge-sharing CrWC3 tetrahedra. All Cr–C bond lengths are 2.10 Å. In the second Cr site, Cr is bonded in a distorted bent 150 degrees geometry to one W and two equivalent C atoms. Both Cr–C bond lengths are 2.15 Å. C is bonded in a 8-coordinate geometry to eight Cr atoms.},
doi = {10.17188/1699536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}