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Title: Materials Data on SrLa3Mn4O10 by Materials Project

Abstract

SrLa3Mn4O10 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.94 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.72 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.87 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.34–3.01 Å. There are four inequivalent Mn+2.25+ sites. In the first Mn+2.25+ site, Mn+2.25+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with two MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 3–21°. There are a spread of Mn–O bond distances ranging from 1.95–2.38 Å. In the second Mn+2.25+ site, Mn+2.25+ is bonded to four O2- atoms to form MnO4 tetrahedra that share cornersmore » with two MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 33–35°. There are a spread of Mn–O bond distances ranging from 2.03–2.17 Å. In the third Mn+2.25+ site, Mn+2.25+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 34–41°. There are a spread of Mn–O bond distances ranging from 2.03–2.14 Å. In the fourth Mn+2.25+ site, Mn+2.25+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with two MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 3–21°. There are a spread of Mn–O bond distances ranging from 2.07–2.26 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, one La3+, and two Mn+2.25+ atoms to form OSrLaMn2 tetrahedra that share corners with two equivalent OSrLa3Mn2 octahedra and corners with two equivalent OLa2Mn2 tetrahedra. The corner-sharing octahedra tilt angles range from 49–69°. In the second O2- site, O2- is bonded to two La3+ and two Mn+2.25+ atoms to form OLa2Mn2 tetrahedra that share corners with two equivalent OSrLa3Mn2 octahedra and corners with two equivalent OSrLaMn2 tetrahedra. The corner-sharing octahedra tilt angles range from 47–56°. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, and two Mn+2.25+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Mn+2.25+ atoms. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to one Sr2+, three La3+, and two Mn+2.25+ atoms. In the sixth O2- site, O2- is bonded to one Sr2+, three La3+, and two Mn+2.25+ atoms to form distorted corner-sharing OSrLa3Mn2 octahedra. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, three La3+, and two Mn+2.25+ atoms. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to one Sr2+, three La3+, and two Mn+2.25+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Mn+2.25+ atoms. In the tenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Sr2+, one La3+, and two Mn+2.25+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1218306
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; SrLa3Mn4O10; La-Mn-O-Sr
OSTI Identifier:
1732331
DOI:
https://doi.org/10.17188/1732331

Citation Formats

The Materials Project. Materials Data on SrLa3Mn4O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732331.
The Materials Project. Materials Data on SrLa3Mn4O10 by Materials Project. United States. doi:https://doi.org/10.17188/1732331
The Materials Project. 2020. "Materials Data on SrLa3Mn4O10 by Materials Project". United States. doi:https://doi.org/10.17188/1732331. https://www.osti.gov/servlets/purl/1732331. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1732331,
title = {Materials Data on SrLa3Mn4O10 by Materials Project},
author = {The Materials Project},
abstractNote = {SrLa3Mn4O10 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.94 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.72 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.87 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.34–3.01 Å. There are four inequivalent Mn+2.25+ sites. In the first Mn+2.25+ site, Mn+2.25+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with two MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 3–21°. There are a spread of Mn–O bond distances ranging from 1.95–2.38 Å. In the second Mn+2.25+ site, Mn+2.25+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 33–35°. There are a spread of Mn–O bond distances ranging from 2.03–2.17 Å. In the third Mn+2.25+ site, Mn+2.25+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 34–41°. There are a spread of Mn–O bond distances ranging from 2.03–2.14 Å. In the fourth Mn+2.25+ site, Mn+2.25+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with two MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 3–21°. There are a spread of Mn–O bond distances ranging from 2.07–2.26 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, one La3+, and two Mn+2.25+ atoms to form OSrLaMn2 tetrahedra that share corners with two equivalent OSrLa3Mn2 octahedra and corners with two equivalent OLa2Mn2 tetrahedra. The corner-sharing octahedra tilt angles range from 49–69°. In the second O2- site, O2- is bonded to two La3+ and two Mn+2.25+ atoms to form OLa2Mn2 tetrahedra that share corners with two equivalent OSrLa3Mn2 octahedra and corners with two equivalent OSrLaMn2 tetrahedra. The corner-sharing octahedra tilt angles range from 47–56°. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, and two Mn+2.25+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Mn+2.25+ atoms. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to one Sr2+, three La3+, and two Mn+2.25+ atoms. In the sixth O2- site, O2- is bonded to one Sr2+, three La3+, and two Mn+2.25+ atoms to form distorted corner-sharing OSrLa3Mn2 octahedra. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, three La3+, and two Mn+2.25+ atoms. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to one Sr2+, three La3+, and two Mn+2.25+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Mn+2.25+ atoms. In the tenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Sr2+, one La3+, and two Mn+2.25+ atoms.},
doi = {10.17188/1732331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}