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Title: Materials Data on Cr12P7 by Materials Project

Abstract

Cr12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.33–2.37 Å. In the second Cr site, Cr is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Cr–P bond distances ranging from 2.26–2.42 Å. In the third Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.33–2.49 Å. In the fourth Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.40–2.54 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Cr atoms. In the second P site, P is bonded in a 8-coordinate geometry to eight Cr atoms. In the third P site, P is bonded in a 8-coordinate geometry to eight Cr atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505626
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; Cr12P7; Cr-P
OSTI Identifier:
1262653
DOI:
10.17188/1262653

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cr12P7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262653.
Persson, Kristin, & Project, Materials. Materials Data on Cr12P7 by Materials Project. United States. doi:10.17188/1262653.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cr12P7 by Materials Project". United States. doi:10.17188/1262653. https://www.osti.gov/servlets/purl/1262653. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262653,
title = {Materials Data on Cr12P7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cr12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.33–2.37 Å. In the second Cr site, Cr is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Cr–P bond distances ranging from 2.26–2.42 Å. In the third Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.33–2.49 Å. In the fourth Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.40–2.54 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Cr atoms. In the second P site, P is bonded in a 8-coordinate geometry to eight Cr atoms. In the third P site, P is bonded in a 8-coordinate geometry to eight Cr atoms.},
doi = {10.17188/1262653},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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