Materials Data on H2CBrCl by Materials Project

doi:10.17188/1705338

Title: Materials Data on H2CBrCl by Materials Project

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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:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on H2CBrCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705338.

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                    The Materials Project. Materials Data on H2CBrCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1705338

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                    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

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@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         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1705338

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