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Title: Materials Data on BeCl2 by Materials Project

Abstract

BeCl2 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four Cl1- atoms to form corner-sharing BeCl4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.05 Å) Be–Cl bond lengths. In the second Be2+ site, Be2+ is bonded to four Cl1- atoms to form corner-sharing BeCl4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.04 Å) Be–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Be2+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms.

Publication Date:
Other Number(s):
mp-569030
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; BeCl2; Be-Cl
OSTI Identifier:
1274904
DOI:
10.17188/1274904

Citation Formats

The Materials Project. Materials Data on BeCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274904.
The Materials Project. Materials Data on BeCl2 by Materials Project. United States. doi:10.17188/1274904.
The Materials Project. 2020. "Materials Data on BeCl2 by Materials Project". United States. doi:10.17188/1274904. https://www.osti.gov/servlets/purl/1274904. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1274904,
title = {Materials Data on BeCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {BeCl2 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four Cl1- atoms to form corner-sharing BeCl4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.05 Å) Be–Cl bond lengths. In the second Be2+ site, Be2+ is bonded to four Cl1- atoms to form corner-sharing BeCl4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.04 Å) Be–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Be2+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms.},
doi = {10.17188/1274904},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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