skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LaMnO3 by Materials Project

Abstract

LaMnO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded to six O2- atoms to form distorted LaO6 octahedra that share edges with three equivalent LaO6 octahedra and edges with three equivalent MnO6 octahedra. There are a spread of La–O bond distances ranging from 2.26–2.66 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six equivalent LaO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.96–2.23 Å. In the second Mn3+ site, Mn3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (1.97 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Mn3+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+ and two Mn3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent La3+ and one Mn3+ atom.

Publication Date:
Other Number(s):
mp-645158
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; LaMnO3; La-Mn-O
OSTI Identifier:
1280504
DOI:
https://doi.org/10.17188/1280504

Citation Formats

The Materials Project. Materials Data on LaMnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280504.
The Materials Project. Materials Data on LaMnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1280504
The Materials Project. 2020. "Materials Data on LaMnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1280504. https://www.osti.gov/servlets/purl/1280504. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1280504,
title = {Materials Data on LaMnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaMnO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded to six O2- atoms to form distorted LaO6 octahedra that share edges with three equivalent LaO6 octahedra and edges with three equivalent MnO6 octahedra. There are a spread of La–O bond distances ranging from 2.26–2.66 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six equivalent LaO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.96–2.23 Å. In the second Mn3+ site, Mn3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (1.97 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Mn3+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+ and two Mn3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent La3+ and one Mn3+ atom.},
doi = {10.17188/1280504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}