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Title: Materials Data on Pr3Cr by Materials Project

Abstract

Pr3Cr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Pr and four equivalent Cr atoms to form a mixture of distorted corner, edge, and face-sharing PrPr4Cr4 tetrahedra. All Pr–Pr bond lengths are 3.40 Å. All Pr–Cr bond lengths are 3.40 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to eight equivalent Pr and six equivalent Cr atoms. All Pr–Cr bond lengths are 3.93 Å. Cr is bonded in a distorted body-centered cubic geometry to fourteen Pr atoms.

Authors:
Publication Date:
Other Number(s):
mp-1186703
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; Pr3Cr; Cr-Pr
OSTI Identifier:
1711921
DOI:
https://doi.org/10.17188/1711921

Citation Formats

The Materials Project. Materials Data on Pr3Cr by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1711921.
The Materials Project. Materials Data on Pr3Cr by Materials Project. United States. doi:https://doi.org/10.17188/1711921
The Materials Project. 2019. "Materials Data on Pr3Cr by Materials Project". United States. doi:https://doi.org/10.17188/1711921. https://www.osti.gov/servlets/purl/1711921. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1711921,
title = {Materials Data on Pr3Cr by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Cr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Pr and four equivalent Cr atoms to form a mixture of distorted corner, edge, and face-sharing PrPr4Cr4 tetrahedra. All Pr–Pr bond lengths are 3.40 Å. All Pr–Cr bond lengths are 3.40 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to eight equivalent Pr and six equivalent Cr atoms. All Pr–Cr bond lengths are 3.93 Å. Cr is bonded in a distorted body-centered cubic geometry to fourteen Pr atoms.},
doi = {10.17188/1711921},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}