DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ga3Te3As by Materials Project

Abstract

Ga3AsTe3 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.59–2.68 Å. In the second Ga3+ site, Ga3+ is bonded to one As3- and three Te2- atoms to form corner-sharing GaTe3As tetrahedra. The Ga–As bond length is 2.52 Å. There are one shorter (2.60 Å) and two longer (2.70 Å) Ga–Te bond lengths. In the third Ga3+ site, Ga3+ is bonded to three equivalent As3- and one Te2- atom to form corner-sharing GaTeAs3 tetrahedra. There are one shorter (2.51 Å) and two longer (2.54 Å) Ga–As bond lengths. The Ga–Te bond length is 2.69 Å. As3- is bonded to four Ga3+ atoms to form corner-sharing AsGa4 tetrahedra. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the second Te2- site, Te2- is bonded in a water-like geometry to two Ga3+ atoms. In the third Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-675954
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ga3Te3As; As-Ga-Te
OSTI Identifier:
1282898
DOI:
https://doi.org/10.17188/1282898

Citation Formats

The Materials Project. Materials Data on Ga3Te3As by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282898.
The Materials Project. Materials Data on Ga3Te3As by Materials Project. United States. doi:https://doi.org/10.17188/1282898
The Materials Project. 2020. "Materials Data on Ga3Te3As by Materials Project". United States. doi:https://doi.org/10.17188/1282898. https://www.osti.gov/servlets/purl/1282898. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1282898,
title = {Materials Data on Ga3Te3As by Materials Project},
author = {The Materials Project},
abstractNote = {Ga3AsTe3 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.59–2.68 Å. In the second Ga3+ site, Ga3+ is bonded to one As3- and three Te2- atoms to form corner-sharing GaTe3As tetrahedra. The Ga–As bond length is 2.52 Å. There are one shorter (2.60 Å) and two longer (2.70 Å) Ga–Te bond lengths. In the third Ga3+ site, Ga3+ is bonded to three equivalent As3- and one Te2- atom to form corner-sharing GaTeAs3 tetrahedra. There are one shorter (2.51 Å) and two longer (2.54 Å) Ga–As bond lengths. The Ga–Te bond length is 2.69 Å. As3- is bonded to four Ga3+ atoms to form corner-sharing AsGa4 tetrahedra. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the second Te2- site, Te2- is bonded in a water-like geometry to two Ga3+ atoms. In the third Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.},
doi = {10.17188/1282898},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}