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Title: Materials Data on CCl4 by Materials Project

Abstract

CCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of thirty-two carbon tetrachloride molecules. C4+ is bonded in a tetrahedral geometry to four Cl1- atoms. All C–Cl bond lengths are 1.78 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1004532
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; CCl4; C-Cl
OSTI Identifier:
1305234
DOI:
10.17188/1305234

Citation Formats

Persson, Kristin. Materials Data on CCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305234.
Persson, Kristin. Materials Data on CCl4 by Materials Project. United States. doi:10.17188/1305234.
Persson, Kristin. 2020. "Materials Data on CCl4 by Materials Project". United States. doi:10.17188/1305234. https://www.osti.gov/servlets/purl/1305234. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1305234,
title = {Materials Data on CCl4 by Materials Project},
author = {Persson, Kristin},
abstractNote = {CCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of thirty-two carbon tetrachloride molecules. C4+ is bonded in a tetrahedral geometry to four Cl1- atoms. All C–Cl bond lengths are 1.78 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1305234},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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