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Title: Materials Data on PrCu6 by Materials Project

Abstract

PrCu6 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to nineteen Cu atoms. There are a spread of Pr–Cu bond distances ranging from 2.90–3.38 Å. There are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 2-coordinate geometry to four equivalent Pr and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.53–3.10 Å. In the second Cu site, Cu is bonded to three equivalent Pr and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuPr3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.47–2.61 Å. In the third Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Pr and eight Cu atoms. There are two shorter (2.51 Å) and one longer (2.85 Å) Cu–Cu bond lengths. In the fourth Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Pr and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.46–3.03 Å. In the fifth Cu site, Cu is bonded to three equivalent Pr and nine Cumore » atoms to form a mixture of face, edge, and corner-sharing CuPr3Cu9 cuboctahedra. There are one shorter (2.49 Å) and one longer (2.60 Å) Cu–Cu bond lengths.« less

Publication Date:
Other Number(s):
mp-30698
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; PrCu6; Cu-Pr
OSTI Identifier:
1205058
DOI:
10.17188/1205058

Citation Formats

The Materials Project. Materials Data on PrCu6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205058.
The Materials Project. Materials Data on PrCu6 by Materials Project. United States. doi:10.17188/1205058.
The Materials Project. 2020. "Materials Data on PrCu6 by Materials Project". United States. doi:10.17188/1205058. https://www.osti.gov/servlets/purl/1205058. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1205058,
title = {Materials Data on PrCu6 by Materials Project},
author = {The Materials Project},
abstractNote = {PrCu6 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to nineteen Cu atoms. There are a spread of Pr–Cu bond distances ranging from 2.90–3.38 Å. There are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 2-coordinate geometry to four equivalent Pr and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.53–3.10 Å. In the second Cu site, Cu is bonded to three equivalent Pr and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuPr3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.47–2.61 Å. In the third Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Pr and eight Cu atoms. There are two shorter (2.51 Å) and one longer (2.85 Å) Cu–Cu bond lengths. In the fourth Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Pr and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.46–3.03 Å. In the fifth Cu site, Cu is bonded to three equivalent Pr and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuPr3Cu9 cuboctahedra. There are one shorter (2.49 Å) and one longer (2.60 Å) Cu–Cu bond lengths.},
doi = {10.17188/1205058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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