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Title: Materials Data on LaBi2Au by Materials Project

Abstract

LaAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded to four equivalent Au and eight Bi atoms to form a mixture of corner, edge, and face-sharing LaBi8Au4 cuboctahedra. All La–Au bond lengths are 3.35 Å. There are four shorter (3.38 Å) and four longer (3.60 Å) La–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Bi atoms. All Au–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.35 Å.

Publication Date:
Other Number(s):
mp-1078401
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; LaBi2Au; Au-Bi-La
OSTI Identifier:
1677989
DOI:
https://doi.org/10.17188/1677989

Citation Formats

The Materials Project. Materials Data on LaBi2Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677989.
The Materials Project. Materials Data on LaBi2Au by Materials Project. United States. doi:https://doi.org/10.17188/1677989
The Materials Project. 2020. "Materials Data on LaBi2Au by Materials Project". United States. doi:https://doi.org/10.17188/1677989. https://www.osti.gov/servlets/purl/1677989. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677989,
title = {Materials Data on LaBi2Au by Materials Project},
author = {The Materials Project},
abstractNote = {LaAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded to four equivalent Au and eight Bi atoms to form a mixture of corner, edge, and face-sharing LaBi8Au4 cuboctahedra. All La–Au bond lengths are 3.35 Å. There are four shorter (3.38 Å) and four longer (3.60 Å) La–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Bi atoms. All Au–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.35 Å.},
doi = {10.17188/1677989},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}