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Title: Materials Data on Li3ClO by Materials Project

Abstract

Li3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Li–O bond lengths are 1.95 Å. All Li–Cl bond lengths are 2.76 Å. O2- is bonded to six equivalent Li1+ atoms to form OLi6 octahedra that share corners with six equivalent OLi6 octahedra and faces with eight equivalent ClLi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Li1+ atoms to form ClLi12 cuboctahedra that share corners with twelve equivalent ClLi12 cuboctahedra, faces with six equivalent ClLi12 cuboctahedra, and faces with eight equivalent OLi6 octahedra.

Publication Date:
Other Number(s):
mp-985585
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; Li3ClO; Cl-Li-O
OSTI Identifier:
1282131
DOI:
10.17188/1282131

Citation Formats

The Materials Project. Materials Data on Li3ClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282131.
The Materials Project. Materials Data on Li3ClO by Materials Project. United States. doi:10.17188/1282131.
The Materials Project. 2020. "Materials Data on Li3ClO by Materials Project". United States. doi:10.17188/1282131. https://www.osti.gov/servlets/purl/1282131. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1282131,
title = {Materials Data on Li3ClO by Materials Project},
author = {The Materials Project},
abstractNote = {Li3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Li–O bond lengths are 1.95 Å. All Li–Cl bond lengths are 2.76 Å. O2- is bonded to six equivalent Li1+ atoms to form OLi6 octahedra that share corners with six equivalent OLi6 octahedra and faces with eight equivalent ClLi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Li1+ atoms to form ClLi12 cuboctahedra that share corners with twelve equivalent ClLi12 cuboctahedra, faces with six equivalent ClLi12 cuboctahedra, and faces with eight equivalent OLi6 octahedra.},
doi = {10.17188/1282131},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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