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Title: Materials Data on LiMnO3 by Materials Project

Abstract

LiMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Li–O bond distances ranging from 1.95–2.52 Å. Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Mn–O bond distances ranging from 1.90–1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Li and two equivalent Mn atoms to form distorted corner-sharing OLi2Mn2 tetrahedra. In the second O site, O is bonded in a 3-coordinate geometry to three equivalent Li and two equivalent Mn atoms.

Publication Date:
Other Number(s):
mp-1120793
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; LiMnO3; Li-Mn-O
OSTI Identifier:
1685992
DOI:
https://doi.org/10.17188/1685992

Citation Formats

The Materials Project. Materials Data on LiMnO3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1685992.
The Materials Project. Materials Data on LiMnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1685992
The Materials Project. 2018. "Materials Data on LiMnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1685992. https://www.osti.gov/servlets/purl/1685992. Pub date:Mon Oct 29 00:00:00 EDT 2018
@article{osti_1685992,
title = {Materials Data on LiMnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Li–O bond distances ranging from 1.95–2.52 Å. Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Mn–O bond distances ranging from 1.90–1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Li and two equivalent Mn atoms to form distorted corner-sharing OLi2Mn2 tetrahedra. In the second O site, O is bonded in a 3-coordinate geometry to three equivalent Li and two equivalent Mn atoms.},
doi = {10.17188/1685992},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {10}
}