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Title: Materials Data on Pr5CuBi3 by Materials Project

Abstract

Pr5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Pr–Bi bond lengths are 3.44 Å. In the second Pr site, Pr is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing PrCu2Bi5 pentagonal bipyramids. Both Pr–Cu bond lengths are 3.00 Å. There are a spread of Pr–Bi bond distances ranging from 3.29–3.54 Å. Cu is bonded to six equivalent Pr atoms to form face-sharing CuPr6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Pr atoms.

Authors:
Publication Date:
Other Number(s):
mp-1188561
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; Pr5CuBi3; Bi-Cu-Pr
OSTI Identifier:
1691341
DOI:
https://doi.org/10.17188/1691341

Citation Formats

The Materials Project. Materials Data on Pr5CuBi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1691341.
The Materials Project. Materials Data on Pr5CuBi3 by Materials Project. United States. doi:https://doi.org/10.17188/1691341
The Materials Project. 2020. "Materials Data on Pr5CuBi3 by Materials Project". United States. doi:https://doi.org/10.17188/1691341. https://www.osti.gov/servlets/purl/1691341. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1691341,
title = {Materials Data on Pr5CuBi3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Pr–Bi bond lengths are 3.44 Å. In the second Pr site, Pr is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing PrCu2Bi5 pentagonal bipyramids. Both Pr–Cu bond lengths are 3.00 Å. There are a spread of Pr–Bi bond distances ranging from 3.29–3.54 Å. Cu is bonded to six equivalent Pr atoms to form face-sharing CuPr6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Pr atoms.},
doi = {10.17188/1691341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}