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Title: Materials Data on Te3As2 by Materials Project

Abstract

As2Te3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As2Te3 sheets oriented in the (0, 0, 1) direction. As3- is bonded to six Te2+ atoms to form a mixture of edge and corner-sharing AsTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.86 Å) and three longer (3.00 Å) As–Te bond lengths. There are two inequivalent Te2+ sites. In the first Te2+ site, Te2+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. In the second Te2+ site, Te2+ is bonded to six equivalent As3- atoms to form edge-sharing TeAs6 octahedra.

Publication Date:
Other Number(s):
mp-9897
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; Te3As2; As-Te
OSTI Identifier:
1316944
DOI:
https://doi.org/10.17188/1316944

Citation Formats

The Materials Project. Materials Data on Te3As2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316944.
The Materials Project. Materials Data on Te3As2 by Materials Project. United States. doi:https://doi.org/10.17188/1316944
The Materials Project. 2020. "Materials Data on Te3As2 by Materials Project". United States. doi:https://doi.org/10.17188/1316944. https://www.osti.gov/servlets/purl/1316944. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1316944,
title = {Materials Data on Te3As2 by Materials Project},
author = {The Materials Project},
abstractNote = {As2Te3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As2Te3 sheets oriented in the (0, 0, 1) direction. As3- is bonded to six Te2+ atoms to form a mixture of edge and corner-sharing AsTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.86 Å) and three longer (3.00 Å) As–Te bond lengths. There are two inequivalent Te2+ sites. In the first Te2+ site, Te2+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. In the second Te2+ site, Te2+ is bonded to six equivalent As3- atoms to form edge-sharing TeAs6 octahedra.},
doi = {10.17188/1316944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}