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

Title: Materials Data on SrLaMnO3 by Materials Project

Abstract

SrLaMnO3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form a mixture of distorted edge, face, and corner-sharing SrO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.46–2.74 Å. La2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.74 Å. Mn2+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.99–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent La2+, and one Mn2+ atom to form OSrLa4Mn octahedra that share corners with eleven OSr2La2Mn2 octahedra, edges with eight OSrLa4Mn octahedra, and faces with two equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 3–58°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one La2+, and one Mn2+ atom to form distorted OSr4LaMn octahedra that share corners with eleven OSr2La2Mn2 octahedra, edges with eight OSrLa4Mn octahedra, and faces with two equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 3–57°. In the third O2-more » site, O2- is bonded to two equivalent Sr2+, two equivalent La2+, and two equivalent Mn2+ atoms to form distorted OSr2La2Mn2 octahedra that share corners with fourteen OSr2La2Mn2 octahedra, edges with two equivalent OSr2La2Mn2 octahedra, and faces with four OSrLa4Mn octahedra. The corner-sharing octahedra tilt angles range from 9–58°.« less

Authors:
Publication Date:
Other Number(s):
mp-1218167
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; SrLaMnO3; La-Mn-O-Sr
OSTI Identifier:
1695481
DOI:
https://doi.org/10.17188/1695481

Citation Formats

The Materials Project. Materials Data on SrLaMnO3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1695481.
The Materials Project. Materials Data on SrLaMnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1695481
The Materials Project. 2019. "Materials Data on SrLaMnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1695481. https://www.osti.gov/servlets/purl/1695481. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695481,
title = {Materials Data on SrLaMnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrLaMnO3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form a mixture of distorted edge, face, and corner-sharing SrO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.46–2.74 Å. La2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.74 Å. Mn2+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.99–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent La2+, and one Mn2+ atom to form OSrLa4Mn octahedra that share corners with eleven OSr2La2Mn2 octahedra, edges with eight OSrLa4Mn octahedra, and faces with two equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 3–58°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one La2+, and one Mn2+ atom to form distorted OSr4LaMn octahedra that share corners with eleven OSr2La2Mn2 octahedra, edges with eight OSrLa4Mn octahedra, and faces with two equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 3–57°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La2+, and two equivalent Mn2+ atoms to form distorted OSr2La2Mn2 octahedra that share corners with fourteen OSr2La2Mn2 octahedra, edges with two equivalent OSr2La2Mn2 octahedra, and faces with four OSrLa4Mn octahedra. The corner-sharing octahedra tilt angles range from 9–58°.},
doi = {10.17188/1695481},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}