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;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Au-Pr; crystal structure; Pr2Au
OSTI Identifier:
1201322
DOI:
https://doi.org/10.17188/1201322

Citation Formats

Materials Data on Pr2Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201322.
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Materials Data on Pr2Au by Materials Project. United States. doi:https://doi.org/10.17188/1201322
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2020. "Materials Data on Pr2Au by Materials Project". United States. doi:https://doi.org/10.17188/1201322. https://www.osti.gov/servlets/purl/1201322. Pub date:Mon Jul 13 20:00:00 EDT 2020
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@article{osti_1201322,
title = {Materials Data on Pr2Au by 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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DOI: https://doi.org/10.17188/1201322
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