U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-2157
- 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; Co-W; Co3W; crystal structure
- OSTI Identifier:
- 1197003
- DOI:
- https://doi.org/10.17188/1197003
Citation Formats
Materials Data on Co3W by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197003.
Materials Data on Co3W by Materials Project. United States. doi:https://doi.org/10.17188/1197003
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 04:00:00 UTC 2020
@article{osti_1197003,
title = {Materials Data on Co3W by 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}
}