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Title: Materials Data on PrCu3Pd2 by Materials Project

Abstract

PrCu3Pd2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to six equivalent Pd and ten Cu atoms. There are four shorter (3.02 Å) and two longer (3.03 Å) Pr–Pd bond lengths. There are a spread of Pr–Cu bond distances ranging from 3.06–3.27 Å. Pd is bonded to three equivalent Pr, two equivalent Pd, and seven Cu atoms to form a mixture of distorted corner, edge, and face-sharing PdPr3Cu7Pd2 cuboctahedra. There are one shorter (2.72 Å) and one longer (2.76 Å) Pd–Pd bond lengths. There are a spread of Pd–Cu bond distances ranging from 2.58–3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Pr, four equivalent Pd, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–3.18 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Pr, six equivalent Pd, and six equivalent Cu atoms.

Publication Date:
Other Number(s):
mp-1219819
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; PrCu3Pd2; Cu-Pd-Pr
OSTI Identifier:
1662959
DOI:
https://doi.org/10.17188/1662959

Citation Formats

The Materials Project. Materials Data on PrCu3Pd2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662959.
The Materials Project. Materials Data on PrCu3Pd2 by Materials Project. United States. doi:https://doi.org/10.17188/1662959
The Materials Project. 2020. "Materials Data on PrCu3Pd2 by Materials Project". United States. doi:https://doi.org/10.17188/1662959. https://www.osti.gov/servlets/purl/1662959. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1662959,
title = {Materials Data on PrCu3Pd2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrCu3Pd2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to six equivalent Pd and ten Cu atoms. There are four shorter (3.02 Å) and two longer (3.03 Å) Pr–Pd bond lengths. There are a spread of Pr–Cu bond distances ranging from 3.06–3.27 Å. Pd is bonded to three equivalent Pr, two equivalent Pd, and seven Cu atoms to form a mixture of distorted corner, edge, and face-sharing PdPr3Cu7Pd2 cuboctahedra. There are one shorter (2.72 Å) and one longer (2.76 Å) Pd–Pd bond lengths. There are a spread of Pd–Cu bond distances ranging from 2.58–3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Pr, four equivalent Pd, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–3.18 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Pr, six equivalent Pd, and six equivalent Cu atoms.},
doi = {10.17188/1662959},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}