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Title: Materials Data on Ga2Te3 by Materials Project

Abstract

Ga2Te3 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Ga2Te3 sheet oriented in the (0, 0, 1) direction. there are four 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 2.62–2.76 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.58 Å) and two longer (2.68 Å) Ga–Te bond lengths. In the third 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 2.62–2.74 Å. In the fourth 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 2.61–2.73 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a water-like geometry to two 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-coplanarmore » geometry to three Ga3+ atoms. In the fourth Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the fifth Te2- site, Te2- is bonded in a distorted L-shaped geometry to two Ga3+ atoms. In the sixth Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.« less

Publication Date:
Other Number(s):
mp-32580
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; Ga2Te3; Ga-Te
OSTI Identifier:
1206314
DOI:
https://doi.org/10.17188/1206314

Citation Formats

The Materials Project. Materials Data on Ga2Te3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206314.
The Materials Project. Materials Data on Ga2Te3 by Materials Project. United States. doi:https://doi.org/10.17188/1206314
The Materials Project. 2020. "Materials Data on Ga2Te3 by Materials Project". United States. doi:https://doi.org/10.17188/1206314. https://www.osti.gov/servlets/purl/1206314. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1206314,
title = {Materials Data on Ga2Te3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga2Te3 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Ga2Te3 sheet oriented in the (0, 0, 1) direction. there are four 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 2.62–2.76 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.58 Å) and two longer (2.68 Å) Ga–Te bond lengths. In the third 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 2.62–2.74 Å. In the fourth 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 2.61–2.73 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a water-like geometry to two 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. In the fourth Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the fifth Te2- site, Te2- is bonded in a distorted L-shaped geometry to two Ga3+ atoms. In the sixth Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.},
doi = {10.17188/1206314},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}