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Title: Materials Data on Ga3Te3I by Materials Project

Abstract

Ga3Te3I crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Ga3Te3I ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Ga+2.33+ sites. In the first Ga+2.33+ site, Ga+2.33+ is bonded to three Te2- and one I1- atom to form corner-sharing GaTe3I tetrahedra. There are one shorter (2.68 Å) and two longer (2.70 Å) Ga–Te bond lengths. The Ga–I bond length is 2.57 Å. In the second Ga+2.33+ site, Ga+2.33+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.69 Å) and two longer (2.72 Å) Ga–Te bond lengths. In the third Ga+2.33+ site, Ga+2.33+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.70 Å) and two longer (2.71 Å) Ga–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ga+2.33+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ga+2.33+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ga+2.33+ atoms. I1- is bonded in a single-bond geometry to one Ga+2.33+ atom.

Authors:
Publication Date:
Other Number(s):
mp-28608
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; Ga3Te3I; Ga-I-Te
OSTI Identifier:
1202702
DOI:
https://doi.org/10.17188/1202702

Citation Formats

The Materials Project. Materials Data on Ga3Te3I by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202702.
The Materials Project. Materials Data on Ga3Te3I by Materials Project. United States. doi:https://doi.org/10.17188/1202702
The Materials Project. 2020. "Materials Data on Ga3Te3I by Materials Project". United States. doi:https://doi.org/10.17188/1202702. https://www.osti.gov/servlets/purl/1202702. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202702,
title = {Materials Data on Ga3Te3I by Materials Project},
author = {The Materials Project},
abstractNote = {Ga3Te3I crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Ga3Te3I ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Ga+2.33+ sites. In the first Ga+2.33+ site, Ga+2.33+ is bonded to three Te2- and one I1- atom to form corner-sharing GaTe3I tetrahedra. There are one shorter (2.68 Å) and two longer (2.70 Å) Ga–Te bond lengths. The Ga–I bond length is 2.57 Å. In the second Ga+2.33+ site, Ga+2.33+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.69 Å) and two longer (2.72 Å) Ga–Te bond lengths. In the third Ga+2.33+ site, Ga+2.33+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.70 Å) and two longer (2.71 Å) Ga–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ga+2.33+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ga+2.33+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ga+2.33+ atoms. I1- is bonded in a single-bond geometry to one Ga+2.33+ atom.},
doi = {10.17188/1202702},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}