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Title: Materials Data on LiH2ClO by Materials Project

Abstract

LiClH2O crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form distorted edge-sharing LiCl4O2 octahedra. Both Li–O bond lengths are 2.05 Å. All Li–Cl bond lengths are 2.69 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Li–O bond lengths are 2.03 Å. There are two shorter (2.56 Å) and two longer (2.95 Å) Li–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded to two Li1+ and two equivalent H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four Li1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-760502
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; LiH2ClO; Cl-H-Li-O
OSTI Identifier:
1291657
DOI:
https://doi.org/10.17188/1291657

Citation Formats

The Materials Project. Materials Data on LiH2ClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291657.
The Materials Project. Materials Data on LiH2ClO by Materials Project. United States. doi:https://doi.org/10.17188/1291657
The Materials Project. 2020. "Materials Data on LiH2ClO by Materials Project". United States. doi:https://doi.org/10.17188/1291657. https://www.osti.gov/servlets/purl/1291657. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1291657,
title = {Materials Data on LiH2ClO by Materials Project},
author = {The Materials Project},
abstractNote = {LiClH2O crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form distorted edge-sharing LiCl4O2 octahedra. Both Li–O bond lengths are 2.05 Å. All Li–Cl bond lengths are 2.69 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Li–O bond lengths are 2.03 Å. There are two shorter (2.56 Å) and two longer (2.95 Å) Li–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded to two Li1+ and two equivalent H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four Li1+ atoms.},
doi = {10.17188/1291657},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}