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Title: Materials Data on GaAu2 by Materials Project

Abstract

Au2Ga crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 4-coordinate geometry to four Ga2+ atoms. There are a spread of Au–Ga bond distances ranging from 2.65–2.87 Å. In the second Au1- site, Au1- is bonded to four Ga2+ atoms to form distorted corner-sharing AuGa4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.69 Å) Au–Ga bond lengths. In the third Au1- site, Au1- is bonded in a 5-coordinate geometry to five Ga2+ atoms. There are a spread of Au–Ga bond distances ranging from 2.65–2.82 Å. In the fourth Au1- site, Au1- is bonded in a 4-coordinate geometry to four equivalent Ga2+ atoms. There are two shorter (2.76 Å) and two longer (2.77 Å) Au–Ga bond lengths. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a 8-coordinate geometry to eight Au1- atoms. In the second Ga2+ site, Ga2+ is bonded in a 9-coordinate geometry to nine Au1- atoms.

Authors:
Publication Date:
Other Number(s):
mp-30380
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; GaAu2; Au-Ga
OSTI Identifier:
1204795
DOI:
https://doi.org/10.17188/1204795

Citation Formats

The Materials Project. Materials Data on GaAu2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204795.
The Materials Project. Materials Data on GaAu2 by Materials Project. United States. doi:https://doi.org/10.17188/1204795
The Materials Project. 2020. "Materials Data on GaAu2 by Materials Project". United States. doi:https://doi.org/10.17188/1204795. https://www.osti.gov/servlets/purl/1204795. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204795,
title = {Materials Data on GaAu2 by Materials Project},
author = {The Materials Project},
abstractNote = {Au2Ga crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 4-coordinate geometry to four Ga2+ atoms. There are a spread of Au–Ga bond distances ranging from 2.65–2.87 Å. In the second Au1- site, Au1- is bonded to four Ga2+ atoms to form distorted corner-sharing AuGa4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.69 Å) Au–Ga bond lengths. In the third Au1- site, Au1- is bonded in a 5-coordinate geometry to five Ga2+ atoms. There are a spread of Au–Ga bond distances ranging from 2.65–2.82 Å. In the fourth Au1- site, Au1- is bonded in a 4-coordinate geometry to four equivalent Ga2+ atoms. There are two shorter (2.76 Å) and two longer (2.77 Å) Au–Ga bond lengths. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a 8-coordinate geometry to eight Au1- atoms. In the second Ga2+ site, Ga2+ is bonded in a 9-coordinate geometry to nine Au1- atoms.},
doi = {10.17188/1204795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}