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Title: Materials Data on Ga2Au7 by Materials Project

Abstract

Au7Ga2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are six inequivalent Au+0.71- sites. In the first Au+0.71- site, Au+0.71- is bonded in a distorted trigonal non-coplanar geometry to three Au+0.71- and three Ga+2.50+ atoms. There are two shorter (2.94 Å) and one longer (2.99 Å) Au–Au bond lengths. There are one shorter (2.84 Å) and two longer (2.87 Å) Au–Ga bond lengths. In the second Au+0.71- site, Au+0.71- is bonded in a distorted trigonal planar geometry to three equivalent Au+0.71- and three Ga+2.50+ atoms. There are one shorter (2.92 Å) and two longer (3.10 Å) Au–Au bond lengths. There are two shorter (2.69 Å) and one longer (2.77 Å) Au–Ga bond lengths. In the third Au+0.71- site, Au+0.71- is bonded in a 2-coordinate geometry to two equivalent Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Au bond lengths are 2.86 Å. Both Au–Ga bond lengths are 2.77 Å. In the fourth Au+0.71- site, Au+0.71- is bonded in a 4-coordinate geometry to nine Au+0.71- and four equivalent Ga+2.50+ atoms. The Au–Au bond length is 2.89 Å. All Au–Ga bond lengths are 2.96 Å. In the fifth Au+0.71- site, Au+0.71- is bonded in a distorted linear geometry tomore » nine Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Ga bond lengths are 2.91 Å. In the sixth Au+0.71- site, Au+0.71- is bonded in a distorted linear geometry to three equivalent Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Ga bond lengths are 2.80 Å. There are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded in a 10-coordinate geometry to ten Au+0.71- atoms. In the second Ga+2.50+ site, Ga+2.50+ is bonded in a distorted q6 geometry to ten Au+0.71- atoms.« less

Publication Date:
Other Number(s):
mp-571598
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; Ga2Au7; Au-Ga
OSTI Identifier:
1276344
DOI:
10.17188/1276344

Citation Formats

The Materials Project. Materials Data on Ga2Au7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276344.
The Materials Project. Materials Data on Ga2Au7 by Materials Project. United States. doi:10.17188/1276344.
The Materials Project. 2020. "Materials Data on Ga2Au7 by Materials Project". United States. doi:10.17188/1276344. https://www.osti.gov/servlets/purl/1276344. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1276344,
title = {Materials Data on Ga2Au7 by Materials Project},
author = {The Materials Project},
abstractNote = {Au7Ga2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are six inequivalent Au+0.71- sites. In the first Au+0.71- site, Au+0.71- is bonded in a distorted trigonal non-coplanar geometry to three Au+0.71- and three Ga+2.50+ atoms. There are two shorter (2.94 Å) and one longer (2.99 Å) Au–Au bond lengths. There are one shorter (2.84 Å) and two longer (2.87 Å) Au–Ga bond lengths. In the second Au+0.71- site, Au+0.71- is bonded in a distorted trigonal planar geometry to three equivalent Au+0.71- and three Ga+2.50+ atoms. There are one shorter (2.92 Å) and two longer (3.10 Å) Au–Au bond lengths. There are two shorter (2.69 Å) and one longer (2.77 Å) Au–Ga bond lengths. In the third Au+0.71- site, Au+0.71- is bonded in a 2-coordinate geometry to two equivalent Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Au bond lengths are 2.86 Å. Both Au–Ga bond lengths are 2.77 Å. In the fourth Au+0.71- site, Au+0.71- is bonded in a 4-coordinate geometry to nine Au+0.71- and four equivalent Ga+2.50+ atoms. The Au–Au bond length is 2.89 Å. All Au–Ga bond lengths are 2.96 Å. In the fifth Au+0.71- site, Au+0.71- is bonded in a distorted linear geometry to nine Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Ga bond lengths are 2.91 Å. In the sixth Au+0.71- site, Au+0.71- is bonded in a distorted linear geometry to three equivalent Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Ga bond lengths are 2.80 Å. There are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded in a 10-coordinate geometry to ten Au+0.71- atoms. In the second Ga+2.50+ site, Ga+2.50+ is bonded in a distorted q6 geometry to ten Au+0.71- atoms.},
doi = {10.17188/1276344},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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