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Title: Materials Data on CrP4 by Materials Project

Abstract

CrP4 is Sylvanite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cr4+ is bonded to six P1- atoms to form edge-sharing CrP6 octahedra. There are a spread of Cr–P bond distances ranging from 2.28–2.37 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted rectangular see-saw-like geometry to one Cr4+ and three P1- atoms. There are two shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 4-coordinate geometry to two equivalent Cr4+ and two P1- atoms. The P–P bond length is 2.22 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7302
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; CrP4; Cr-P
OSTI Identifier:
1287653
DOI:
10.17188/1287653

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CrP4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287653.
Persson, Kristin, & Project, Materials. Materials Data on CrP4 by Materials Project. United States. doi:10.17188/1287653.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CrP4 by Materials Project". United States. doi:10.17188/1287653. https://www.osti.gov/servlets/purl/1287653. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287653,
title = {Materials Data on CrP4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CrP4 is Sylvanite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cr4+ is bonded to six P1- atoms to form edge-sharing CrP6 octahedra. There are a spread of Cr–P bond distances ranging from 2.28–2.37 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted rectangular see-saw-like geometry to one Cr4+ and three P1- atoms. There are two shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 4-coordinate geometry to two equivalent Cr4+ and two P1- atoms. The P–P bond length is 2.22 Å.},
doi = {10.17188/1287653},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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