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Title: Materials Data on TlGaCl4 by Materials Project

Abstract

TlGaCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.40–3.47 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.19–2.21 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-570609
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; TlGaCl4; Cl-Ga-Tl
OSTI Identifier:
1275814
DOI:
10.17188/1275814

Citation Formats

The Materials Project. Materials Data on TlGaCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275814.
The Materials Project. Materials Data on TlGaCl4 by Materials Project. United States. doi:10.17188/1275814.
The Materials Project. 2020. "Materials Data on TlGaCl4 by Materials Project". United States. doi:10.17188/1275814. https://www.osti.gov/servlets/purl/1275814. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1275814,
title = {Materials Data on TlGaCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {TlGaCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.40–3.47 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.19–2.21 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one Ga3+ atom.},
doi = {10.17188/1275814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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