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Title: Materials Data on PmAu3 by Materials Project

Abstract

PmAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.05 Å) and six longer (3.52 Å) Pm–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Pm3+ and four equivalent Au1- atoms to form a mixture of distorted face, edge, and corner-sharing AuPm4Au4 tetrahedra. All Au–Au bond lengths are 3.05 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Pm3+ and eight equivalent Au1- atoms.

Publication Date:
Other Number(s):
mp-1186538
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; PmAu3; Au-Pm
OSTI Identifier:
1759220
DOI:
https://doi.org/10.17188/1759220

Citation Formats

The Materials Project. Materials Data on PmAu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759220.
The Materials Project. Materials Data on PmAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1759220
The Materials Project. 2020. "Materials Data on PmAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1759220. https://www.osti.gov/servlets/purl/1759220. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759220,
title = {Materials Data on PmAu3 by Materials Project},
author = {The Materials Project},
abstractNote = {PmAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.05 Å) and six longer (3.52 Å) Pm–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Pm3+ and four equivalent Au1- atoms to form a mixture of distorted face, edge, and corner-sharing AuPm4Au4 tetrahedra. All Au–Au bond lengths are 3.05 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Pm3+ and eight equivalent Au1- atoms.},
doi = {10.17188/1759220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}