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Title: Materials Data on CrP2 by Materials Project

Abstract

CrP2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr6+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are a spread of Cr–P bond distances ranging from 2.34–2.48 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to three equivalent Cr6+ and three equivalent P3- atoms. There are one shorter (2.19 Å) and two longer (2.47 Å) P–P bond lengths. In the second P3- site, P3- is bonded in a 5-coordinate geometry to five equivalent Cr6+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7291
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; CrP2; Cr-P
OSTI Identifier:
1287641
DOI:
10.17188/1287641

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CrP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287641.
Persson, Kristin, & Project, Materials. Materials Data on CrP2 by Materials Project. United States. doi:10.17188/1287641.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CrP2 by Materials Project". United States. doi:10.17188/1287641. https://www.osti.gov/servlets/purl/1287641. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1287641,
title = {Materials Data on CrP2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CrP2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr6+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are a spread of Cr–P bond distances ranging from 2.34–2.48 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to three equivalent Cr6+ and three equivalent P3- atoms. There are one shorter (2.19 Å) and two longer (2.47 Å) P–P bond lengths. In the second P3- site, P3- is bonded in a 5-coordinate geometry to five equivalent Cr6+ atoms.},
doi = {10.17188/1287641},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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