U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Co3PW2 by Materials Project
Abstract
W2Co3P crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded in a 9-coordinate geometry to four equivalent W, nine equivalent Co, and three equivalent P atoms. There are one shorter (2.70 Å) and three longer (2.91 Å) W–W bond lengths. There are three shorter (2.68 Å) and six longer (2.74 Å) W–Co bond lengths. All W–P bond lengths are 2.79 Å. Co is bonded to six equivalent W, four equivalent Co, and two equivalent P atoms to form distorted CoCo4P2W6 cuboctahedra that share corners with four equivalent PCo6W6 cuboctahedra, corners with fourteen equivalent CoCo4P2W6 cuboctahedra, edges with six equivalent CoCo4P2W6 cuboctahedra, faces with six equivalent PCo6W6 cuboctahedra, and faces with twelve equivalent CoCo4P2W6 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.41 Å) Co–Co bond lengths. Both Co–P bond lengths are 2.30 Å. P is bonded to six equivalent W and six equivalent Co atoms to form distorted PCo6W6 cuboctahedra that share corners with twelve equivalent CoCo4P2W6 cuboctahedra, edges with six equivalent PCo6W6 cuboctahedra, faces with two equivalent PCo6W6 cuboctahedra, and faces with eighteen equivalent CoCo4P2W6 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1226460
- 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-P-W; Co3PW2; crystal structure
- OSTI Identifier:
- 1677737
- DOI:
- https://doi.org/10.17188/1677737
Citation Formats
Materials Data on Co3PW2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677737.
Materials Data on Co3PW2 by Materials Project. United States. doi:https://doi.org/10.17188/1677737
2020.
"Materials Data on Co3PW2 by Materials Project". United States. doi:https://doi.org/10.17188/1677737. https://www.osti.gov/servlets/purl/1677737. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677737,
title = {Materials Data on Co3PW2 by Materials Project},
abstractNote = {W2Co3P crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded in a 9-coordinate geometry to four equivalent W, nine equivalent Co, and three equivalent P atoms. There are one shorter (2.70 Å) and three longer (2.91 Å) W–W bond lengths. There are three shorter (2.68 Å) and six longer (2.74 Å) W–Co bond lengths. All W–P bond lengths are 2.79 Å. Co is bonded to six equivalent W, four equivalent Co, and two equivalent P atoms to form distorted CoCo4P2W6 cuboctahedra that share corners with four equivalent PCo6W6 cuboctahedra, corners with fourteen equivalent CoCo4P2W6 cuboctahedra, edges with six equivalent CoCo4P2W6 cuboctahedra, faces with six equivalent PCo6W6 cuboctahedra, and faces with twelve equivalent CoCo4P2W6 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.41 Å) Co–Co bond lengths. Both Co–P bond lengths are 2.30 Å. P is bonded to six equivalent W and six equivalent Co atoms to form distorted PCo6W6 cuboctahedra that share corners with twelve equivalent CoCo4P2W6 cuboctahedra, edges with six equivalent PCo6W6 cuboctahedra, faces with two equivalent PCo6W6 cuboctahedra, and faces with eighteen equivalent CoCo4P2W6 cuboctahedra.},
doi = {10.17188/1677737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}