U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoP2 by Materials Project
Abstract
CoP2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co2+ is bonded to six P1- atoms to form CoP6 octahedra that share corners with eight equivalent CoP6 octahedra, corners with six PCo3P tetrahedra, and edges with two equivalent CoP6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Co–P bond distances ranging from 2.20–2.29 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to three equivalent Co2+ and one P1- atom to form distorted PCo3P tetrahedra that share corners with three equivalent CoP6 octahedra, corners with thirteen PCo3P tetrahedra, and an edgeedge with one PCo3P tetrahedra. The corner-sharing octahedra tilt angles range from 73–77°. The P–P bond length is 2.23 Å. In the second P1- site, P1- is bonded to three equivalent Co2+ and one P1- atom to form distorted PCo3P tetrahedra that share corners with three equivalent CoP6 octahedra, corners with thirteen PCo3P tetrahedra, and an edgeedge with one PCo3P tetrahedra. The corner-sharing octahedra tilt angles range from 68–72°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-14285
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CoP2; Co-P
- OSTI Identifier:
- 1190594
- DOI:
- https://doi.org/10.17188/1190594
Citation Formats
The Materials Project. Materials Data on CoP2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190594.
The Materials Project. Materials Data on CoP2 by Materials Project. United States. doi:https://doi.org/10.17188/1190594
The Materials Project. 2020.
"Materials Data on CoP2 by Materials Project". United States. doi:https://doi.org/10.17188/1190594. https://www.osti.gov/servlets/purl/1190594. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190594,
title = {Materials Data on CoP2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoP2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co2+ is bonded to six P1- atoms to form CoP6 octahedra that share corners with eight equivalent CoP6 octahedra, corners with six PCo3P tetrahedra, and edges with two equivalent CoP6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Co–P bond distances ranging from 2.20–2.29 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to three equivalent Co2+ and one P1- atom to form distorted PCo3P tetrahedra that share corners with three equivalent CoP6 octahedra, corners with thirteen PCo3P tetrahedra, and an edgeedge with one PCo3P tetrahedra. The corner-sharing octahedra tilt angles range from 73–77°. The P–P bond length is 2.23 Å. In the second P1- site, P1- is bonded to three equivalent Co2+ and one P1- atom to form distorted PCo3P tetrahedra that share corners with three equivalent CoP6 octahedra, corners with thirteen PCo3P tetrahedra, and an edgeedge with one PCo3P tetrahedra. The corner-sharing octahedra tilt angles range from 68–72°.},
doi = {10.17188/1190594},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}