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Title: Materials Data on GdAs2Au by Materials Project

Abstract

GdAuAs2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Gd–As bond distances ranging from 2.96–3.17 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are two shorter (2.80 Å) and two longer (2.82 Å) Au–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent Au3+ atoms. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four equivalent Gd3+ and three equivalent As3- atoms. There are one shorter (2.60 Å) and two longer (2.87 Å) As–As bond lengths.

Publication Date:
Other Number(s):
mp-1189241
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; GdAs2Au; As-Au-Gd
OSTI Identifier:
1707087
DOI:
https://doi.org/10.17188/1707087

Citation Formats

The Materials Project. Materials Data on GdAs2Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707087.
The Materials Project. Materials Data on GdAs2Au by Materials Project. United States. doi:https://doi.org/10.17188/1707087
The Materials Project. 2020. "Materials Data on GdAs2Au by Materials Project". United States. doi:https://doi.org/10.17188/1707087. https://www.osti.gov/servlets/purl/1707087. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707087,
title = {Materials Data on GdAs2Au by Materials Project},
author = {The Materials Project},
abstractNote = {GdAuAs2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Gd–As bond distances ranging from 2.96–3.17 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are two shorter (2.80 Å) and two longer (2.82 Å) Au–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent Au3+ atoms. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four equivalent Gd3+ and three equivalent As3- atoms. There are one shorter (2.60 Å) and two longer (2.87 Å) As–As bond lengths.},
doi = {10.17188/1707087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}