DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Bi3Au by Materials Project

Abstract

AuBi3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au is bonded in a linear geometry to two equivalent Bi atoms. Both Au–Bi bond lengths are 2.72 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted single-bond geometry to one Au and one Bi atom. The Bi–Bi bond length is 3.14 Å. In the second Bi site, Bi is bonded to six Bi atoms to form a mixture of edge and corner-sharing BiBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Bi bond lengths are 3.30 Å.

Publication Date:
Other Number(s):
mp-1227355
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; Bi3Au; Au-Bi
OSTI Identifier:
1685942
DOI:
https://doi.org/10.17188/1685942

Citation Formats

The Materials Project. Materials Data on Bi3Au by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685942.
The Materials Project. Materials Data on Bi3Au by Materials Project. United States. doi:https://doi.org/10.17188/1685942
The Materials Project. 2019. "Materials Data on Bi3Au by Materials Project". United States. doi:https://doi.org/10.17188/1685942. https://www.osti.gov/servlets/purl/1685942. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1685942,
title = {Materials Data on Bi3Au by Materials Project},
author = {The Materials Project},
abstractNote = {AuBi3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au is bonded in a linear geometry to two equivalent Bi atoms. Both Au–Bi bond lengths are 2.72 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted single-bond geometry to one Au and one Bi atom. The Bi–Bi bond length is 3.14 Å. In the second Bi site, Bi is bonded to six Bi atoms to form a mixture of edge and corner-sharing BiBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Bi bond lengths are 3.30 Å.},
doi = {10.17188/1685942},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}