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Title: Materials Data on Pr2Au by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201322· OSTI ID:1201322

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1201322
Report Number(s):
mp-2714
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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