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Title: Materials Data on ZrCoP by Materials Project

Abstract

(CoP)Zr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent P3- atoms to form distorted ZrP5 trigonal bipyramids that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent ZrP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent ZrP5 trigonal bipyramids. There are three shorter (2.68 Å) and two longer (2.70 Å) Zr–P bond lengths. Co1+ is bonded to four equivalent P3- atoms to form CoP4 tetrahedra that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent ZrP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent ZrP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.30–2.50 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Co1+ atoms.

Publication Date:
Other Number(s):
mp-8418
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; ZrCoP; Co-P-Zr
OSTI Identifier:
1308092
DOI:
https://doi.org/10.17188/1308092

Citation Formats

The Materials Project. Materials Data on ZrCoP by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1308092.
The Materials Project. Materials Data on ZrCoP by Materials Project. United States. doi:https://doi.org/10.17188/1308092
The Materials Project. 2017. "Materials Data on ZrCoP by Materials Project". United States. doi:https://doi.org/10.17188/1308092. https://www.osti.gov/servlets/purl/1308092. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1308092,
title = {Materials Data on ZrCoP by Materials Project},
author = {The Materials Project},
abstractNote = {(CoP)Zr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent P3- atoms to form distorted ZrP5 trigonal bipyramids that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent ZrP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent ZrP5 trigonal bipyramids. There are three shorter (2.68 Å) and two longer (2.70 Å) Zr–P bond lengths. Co1+ is bonded to four equivalent P3- atoms to form CoP4 tetrahedra that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent ZrP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent ZrP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.30–2.50 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Co1+ atoms.},
doi = {10.17188/1308092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}