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Title: Materials Data on LiClO4 by Materials Project

Abstract

LiClO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded to six O atoms to form LiO6 octahedra that share corners with six equivalent ClO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.03–2.44 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Li and one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Li and one Cl atom. The O–Cl bond length is 1.45 Å. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded to four O atoms to form ClO4 tetrahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–53°.

Publication Date:
Other Number(s):
mp-30301
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; LiClO4; Cl-Li-O
OSTI Identifier:
1204724
DOI:
https://doi.org/10.17188/1204724

Citation Formats

The Materials Project. Materials Data on LiClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204724.
The Materials Project. Materials Data on LiClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1204724
The Materials Project. 2020. "Materials Data on LiClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1204724. https://www.osti.gov/servlets/purl/1204724. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1204724,
title = {Materials Data on LiClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiClO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded to six O atoms to form LiO6 octahedra that share corners with six equivalent ClO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.03–2.44 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Li and one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Li and one Cl atom. The O–Cl bond length is 1.45 Å. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded to four O atoms to form ClO4 tetrahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–53°.},
doi = {10.17188/1204724},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}