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Title: Materials Data on Te3Au by Materials Project

Abstract

AuTe3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au5+ is bonded in a linear geometry to two equivalent Te+1.67- atoms. Both Au–Te bond lengths are 2.64 Å. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a distorted single-bond geometry to one Au5+ and one Te+1.67- atom. The Te–Te bond length is 3.70 Å. In the second Te+1.67- site, Te+1.67- is bonded to six Te+1.67- atoms to form a mixture of edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Te–Te bond lengths are 3.13 Å.

Publication Date:
Other Number(s):
mp-1217358
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; Te3Au; Au-Te
OSTI Identifier:
1667128
DOI:
https://doi.org/10.17188/1667128

Citation Formats

The Materials Project. Materials Data on Te3Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667128.
The Materials Project. Materials Data on Te3Au by Materials Project. United States. doi:https://doi.org/10.17188/1667128
The Materials Project. 2020. "Materials Data on Te3Au by Materials Project". United States. doi:https://doi.org/10.17188/1667128. https://www.osti.gov/servlets/purl/1667128. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1667128,
title = {Materials Data on Te3Au by Materials Project},
author = {The Materials Project},
abstractNote = {AuTe3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au5+ is bonded in a linear geometry to two equivalent Te+1.67- atoms. Both Au–Te bond lengths are 2.64 Å. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a distorted single-bond geometry to one Au5+ and one Te+1.67- atom. The Te–Te bond length is 3.70 Å. In the second Te+1.67- site, Te+1.67- is bonded to six Te+1.67- atoms to form a mixture of edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Te–Te bond lengths are 3.13 Å.},
doi = {10.17188/1667128},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}