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Title: Materials Data on SrLa3Mn4O12 by Materials Project

Abstract

SrLa3Mn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are three shorter (2.54 Å) and six longer (2.84 Å) Sr–O bond lengths. La3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.79 Å. There are two inequivalent Mn+3.25+ sites. In the first Mn+3.25+ site, Mn+3.25+ is bonded to six equivalent O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Mn–O bond lengths are 2.00 Å. In the second Mn+3.25+ site, Mn+3.25+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 15–20°. There is two shorter (1.99 Å) and four longer (2.00 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, and two Mn+3.25+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Mn+3.25+ atoms. In the third O2- site, O2- is bonded inmore » a 5-coordinate geometry to one Sr2+, two equivalent La3+, and two equivalent Mn+3.25+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-705906
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; SrLa3Mn4O12; La-Mn-O-Sr
OSTI Identifier:
1286105
DOI:
https://doi.org/10.17188/1286105

Citation Formats

The Materials Project. Materials Data on SrLa3Mn4O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286105.
The Materials Project. Materials Data on SrLa3Mn4O12 by Materials Project. United States. doi:https://doi.org/10.17188/1286105
The Materials Project. 2020. "Materials Data on SrLa3Mn4O12 by Materials Project". United States. doi:https://doi.org/10.17188/1286105. https://www.osti.gov/servlets/purl/1286105. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1286105,
title = {Materials Data on SrLa3Mn4O12 by Materials Project},
author = {The Materials Project},
abstractNote = {SrLa3Mn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are three shorter (2.54 Å) and six longer (2.84 Å) Sr–O bond lengths. La3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.79 Å. There are two inequivalent Mn+3.25+ sites. In the first Mn+3.25+ site, Mn+3.25+ is bonded to six equivalent O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Mn–O bond lengths are 2.00 Å. In the second Mn+3.25+ site, Mn+3.25+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 15–20°. There is two shorter (1.99 Å) and four longer (2.00 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, and two Mn+3.25+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Mn+3.25+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, and two equivalent Mn+3.25+ atoms.},
doi = {10.17188/1286105},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}