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Title: 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 = {2020},
month = {7}
}