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Title: Materials Data on H2CBrCl by Materials Project

Abstract

CH2BrCl crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight bromochloromethane molecules. C2+ is bonded in a distorted tetrahedral geometry to two H, one Br1-, and one Cl1- atom. Both C–H bond lengths are 1.09 Å. The C–Br bond length is 1.96 Å. The C–Cl bond length is 1.77 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C2+ atom. In the second H site, H is bonded in a single-bond geometry to one C2+ atom. Br1- is bonded in a single-bond geometry to one C2+ atom. Cl1- is bonded in a single-bond geometry to one C2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1224461
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; H2CBrCl; Br-C-Cl-H
OSTI Identifier:
1705338
DOI:
https://doi.org/10.17188/1705338

Citation Formats

The Materials Project. Materials Data on H2CBrCl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705338.
The Materials Project. Materials Data on H2CBrCl by Materials Project. United States. doi:https://doi.org/10.17188/1705338
The Materials Project. 2020. "Materials Data on H2CBrCl by Materials Project". United States. doi:https://doi.org/10.17188/1705338. https://www.osti.gov/servlets/purl/1705338. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1705338,
title = {Materials Data on H2CBrCl by Materials Project},
author = {The Materials Project},
abstractNote = {CH2BrCl crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight bromochloromethane molecules. C2+ is bonded in a distorted tetrahedral geometry to two H, one Br1-, and one Cl1- atom. Both C–H bond lengths are 1.09 Å. The C–Br bond length is 1.96 Å. The C–Cl bond length is 1.77 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C2+ atom. In the second H site, H is bonded in a single-bond geometry to one C2+ atom. Br1- is bonded in a single-bond geometry to one C2+ atom. Cl1- is bonded in a single-bond geometry to one C2+ atom.},
doi = {10.17188/1705338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}