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Title: Materials Data on CaCl2 by Materials Project

Abstract

CaCl2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing CaCl6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are four shorter (2.76 Å) and two longer (2.79 Å) Ca–Cl bond lengths. Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Ca2+ atoms.

Publication Date:
Other Number(s):
mp-571642
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; CaCl2; Ca-Cl
OSTI Identifier:
1276371
DOI:
10.17188/1276371

Citation Formats

The Materials Project. Materials Data on CaCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276371.
The Materials Project. Materials Data on CaCl2 by Materials Project. United States. doi:10.17188/1276371.
The Materials Project. 2020. "Materials Data on CaCl2 by Materials Project". United States. doi:10.17188/1276371. https://www.osti.gov/servlets/purl/1276371. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1276371,
title = {Materials Data on CaCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCl2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing CaCl6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are four shorter (2.76 Å) and two longer (2.79 Å) Ca–Cl bond lengths. Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Ca2+ atoms.},
doi = {10.17188/1276371},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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