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Title: Materials Data on Y7(TeAu)2 by Materials Project

Abstract

Y7(AuTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Au and three Te atoms to form a mixture of distorted corner, edge, and face-sharing YTe3Au2 trigonal bipyramids. Both Y–Au bond lengths are 2.97 Å. There are one shorter (3.13 Å) and two longer (3.21 Å) Y–Te bond lengths. In the second Y site, Y is bonded in a 4-coordinate geometry to three equivalent Au and one Te atom. There are two shorter (2.94 Å) and one longer (3.21 Å) Y–Au bond lengths. The Y–Te bond length is 3.19 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Au and two equivalent Te atoms. Both Y–Au bond lengths are 3.01 Å. Both Y–Te bond lengths are 3.15 Å. In the fourth Y site, Y is bonded in a 5-coordinate geometry to three Te atoms. There are two shorter (3.26 Å) and one longer (3.34 Å) Y–Te bond lengths. Au is bonded in a 7-coordinate geometry to seven Y atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded inmore » a 8-coordinate geometry to eight Y atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Y atoms.« less

Publication Date:
Other Number(s):
mp-1206192
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; Y7(TeAu)2; Au-Te-Y
OSTI Identifier:
1680918
DOI:
https://doi.org/10.17188/1680918

Citation Formats

The Materials Project. Materials Data on Y7(TeAu)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680918.
The Materials Project. Materials Data on Y7(TeAu)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680918
The Materials Project. 2020. "Materials Data on Y7(TeAu)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680918. https://www.osti.gov/servlets/purl/1680918. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680918,
title = {Materials Data on Y7(TeAu)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y7(AuTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Au and three Te atoms to form a mixture of distorted corner, edge, and face-sharing YTe3Au2 trigonal bipyramids. Both Y–Au bond lengths are 2.97 Å. There are one shorter (3.13 Å) and two longer (3.21 Å) Y–Te bond lengths. In the second Y site, Y is bonded in a 4-coordinate geometry to three equivalent Au and one Te atom. There are two shorter (2.94 Å) and one longer (3.21 Å) Y–Au bond lengths. The Y–Te bond length is 3.19 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Au and two equivalent Te atoms. Both Y–Au bond lengths are 3.01 Å. Both Y–Te bond lengths are 3.15 Å. In the fourth Y site, Y is bonded in a 5-coordinate geometry to three Te atoms. There are two shorter (3.26 Å) and one longer (3.34 Å) Y–Te bond lengths. Au is bonded in a 7-coordinate geometry to seven Y atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Y atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Y atoms.},
doi = {10.17188/1680918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}