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Title: Materials Data on Pr2Au by Materials Project

Abstract

Pr2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are one shorter (3.08 Å) and two longer (3.25 Å) Pr–Au bond lengths. In the second Pr site, Pr is bonded to four equivalent Au atoms to form a mixture of distorted edge and corner-sharing PrAu4 tetrahedra. There are a spread of Pr–Au bond distances ranging from 3.03–3.20 Å. Au is bonded in a 7-coordinate geometry to seven Pr atoms.

Publication Date:
Other Number(s):
mp-2714
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; Pr2Au; Au-Pr
OSTI Identifier:
1201322
DOI:
10.17188/1201322

Citation Formats

The Materials Project. Materials Data on Pr2Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201322.
The Materials Project. Materials Data on Pr2Au by Materials Project. United States. doi:10.17188/1201322.
The Materials Project. 2020. "Materials Data on Pr2Au by Materials Project". United States. doi:10.17188/1201322. https://www.osti.gov/servlets/purl/1201322. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1201322,
title = {Materials Data on Pr2Au by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are one shorter (3.08 Å) and two longer (3.25 Å) Pr–Au bond lengths. In the second Pr site, Pr is bonded to four equivalent Au atoms to form a mixture of distorted edge and corner-sharing PrAu4 tetrahedra. There are a spread of Pr–Au bond distances ranging from 3.03–3.20 Å. Au is bonded in a 7-coordinate geometry to seven Pr atoms.},
doi = {10.17188/1201322},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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