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Title: Materials Data on GaHCl2 by Materials Project

Abstract

GaHCl2 is Protactinium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ac1o4jdr molecules. Ga3+ is bonded to one H1- and three Cl1- atoms to form distorted edge-sharing GaHCl3 tetrahedra. The Ga–H bond length is 1.53 Å. There are a spread of Ga–Cl bond distances ranging from 2.17–2.36 Å. H1- is bonded in a single-bond geometry to one Ga3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ga3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom.

Publication Date:
Other Number(s):
mp-1190111
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; GaHCl2; Cl-Ga-H
OSTI Identifier:
1744494
DOI:
https://doi.org/10.17188/1744494

Citation Formats

The Materials Project. Materials Data on GaHCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744494.
The Materials Project. Materials Data on GaHCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1744494
The Materials Project. 2020. "Materials Data on GaHCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1744494. https://www.osti.gov/servlets/purl/1744494. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744494,
title = {Materials Data on GaHCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {GaHCl2 is Protactinium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ac1o4jdr molecules. Ga3+ is bonded to one H1- and three Cl1- atoms to form distorted edge-sharing GaHCl3 tetrahedra. The Ga–H bond length is 1.53 Å. There are a spread of Ga–Cl bond distances ranging from 2.17–2.36 Å. H1- is bonded in a single-bond geometry to one Ga3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ga3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom.},
doi = {10.17188/1744494},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}