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Title: Materials Data on Co3W by Materials Project

Abstract

Co3W is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded to twelve Co atoms to form WCo12 cuboctahedra that share corners with six equivalent WCo12 cuboctahedra, corners with twelve CoCo8W4 cuboctahedra, edges with eighteen CoCo8W4 cuboctahedra, faces with eight equivalent WCo12 cuboctahedra, and faces with twelve CoCo8W4 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.56 Å) W–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent W and eight Co atoms to form distorted CoCo8W4 cuboctahedra that share corners with four equivalent WCo12 cuboctahedra, corners with fourteen CoCo8W4 cuboctahedra, edges with six equivalent WCo12 cuboctahedra, edges with twelve CoCo8W4 cuboctahedra, faces with four equivalent WCo12 cuboctahedra, and faces with sixteen CoCo8W4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.63 Å. In the second Co site, Co is bonded to four equivalent W and eight equivalent Co atoms to form distorted CoCo8W4 cuboctahedra that share corners with four equivalent WCo12 cuboctahedra, corners with fourteen CoCo8W4 cuboctahedra, edges with six equivalent WCo12 cuboctahedra, edges with twelve equivalent CoCo8W4 cuboctahedra, faces with four equivalent WCo12 cuboctahedra,more » and faces with sixteen CoCo8W4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-2157
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; Co3W; Co-W
OSTI Identifier:
1197003
DOI:
https://doi.org/10.17188/1197003

Citation Formats

The Materials Project. Materials Data on Co3W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197003.
The Materials Project. Materials Data on Co3W by Materials Project. United States. doi:https://doi.org/10.17188/1197003
The Materials Project. 2020. "Materials Data on Co3W by Materials Project". United States. doi:https://doi.org/10.17188/1197003. https://www.osti.gov/servlets/purl/1197003. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197003,
title = {Materials Data on Co3W by Materials Project},
author = {The Materials Project},
abstractNote = {Co3W is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded to twelve Co atoms to form WCo12 cuboctahedra that share corners with six equivalent WCo12 cuboctahedra, corners with twelve CoCo8W4 cuboctahedra, edges with eighteen CoCo8W4 cuboctahedra, faces with eight equivalent WCo12 cuboctahedra, and faces with twelve CoCo8W4 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.56 Å) W–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent W and eight Co atoms to form distorted CoCo8W4 cuboctahedra that share corners with four equivalent WCo12 cuboctahedra, corners with fourteen CoCo8W4 cuboctahedra, edges with six equivalent WCo12 cuboctahedra, edges with twelve CoCo8W4 cuboctahedra, faces with four equivalent WCo12 cuboctahedra, and faces with sixteen CoCo8W4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.63 Å. In the second Co site, Co is bonded to four equivalent W and eight equivalent Co atoms to form distorted CoCo8W4 cuboctahedra that share corners with four equivalent WCo12 cuboctahedra, corners with fourteen CoCo8W4 cuboctahedra, edges with six equivalent WCo12 cuboctahedra, edges with twelve equivalent CoCo8W4 cuboctahedra, faces with four equivalent WCo12 cuboctahedra, and faces with sixteen CoCo8W4 cuboctahedra.},
doi = {10.17188/1197003},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}