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Title: Materials Data on BeCl2 by Materials Project

Abstract

BeCl2 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Be2+ is bonded to four Cl1- atoms to form corner-sharing BeCl4 tetrahedra. There are one shorter (2.03 Å) and three longer (2.04 Å) Be–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Be2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Be2+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-570227
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; BeCl2; Be-Cl
OSTI Identifier:
1275591
DOI:
https://doi.org/10.17188/1275591

Citation Formats

The Materials Project. Materials Data on BeCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275591.
The Materials Project. Materials Data on BeCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1275591
The Materials Project. 2020. "Materials Data on BeCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1275591. https://www.osti.gov/servlets/purl/1275591. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1275591,
title = {Materials Data on BeCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {BeCl2 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Be2+ is bonded to four Cl1- atoms to form corner-sharing BeCl4 tetrahedra. There are one shorter (2.03 Å) and three longer (2.04 Å) Be–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Be2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Be2+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms.},
doi = {10.17188/1275591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}