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Title: Materials Data on SrLaMn2O5 by Materials Project

Abstract

LaSrMn2O5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–3.14 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.92 Å. There are three inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ 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 8–10°. There are a spread of Mn–O bond distances ranging from 1.98–2.22 Å. In the second Mn+2.50+ site, Mn+2.50+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Mn–O bond distances ranging from 2.03–2.17 Å. In the third Mn+2.50+ site, Mn+2.50+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedral tilt anglesmore » are 32°. There are a spread of Mn–O bond distances ranging from 2.05–2.15 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, and two Mn+2.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Mn+2.50+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn+2.50+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn+2.50+ atoms. In the fifth O2- site, O2- is bonded to two equivalent La3+ and two Mn+2.50+ atoms to form corner-sharing OLa2Mn2 tetrahedra. In the sixth O2- site, O2- is bonded to two equivalent Sr2+ and two Mn+2.50+ atoms to form distorted corner-sharing OSr2Mn2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1218228
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; SrLaMn2O5; La-Mn-O-Sr
OSTI Identifier:
1656330
DOI:
https://doi.org/10.17188/1656330

Citation Formats

The Materials Project. Materials Data on SrLaMn2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656330.
The Materials Project. Materials Data on SrLaMn2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1656330
The Materials Project. 2020. "Materials Data on SrLaMn2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1656330. https://www.osti.gov/servlets/purl/1656330. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1656330,
title = {Materials Data on SrLaMn2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {LaSrMn2O5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–3.14 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.92 Å. There are three inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ 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 8–10°. There are a spread of Mn–O bond distances ranging from 1.98–2.22 Å. In the second Mn+2.50+ site, Mn+2.50+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Mn–O bond distances ranging from 2.03–2.17 Å. In the third Mn+2.50+ site, Mn+2.50+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent MnO6 octahedra and corners with two equivalent MnO4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Mn–O bond distances ranging from 2.05–2.15 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, and two Mn+2.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Mn+2.50+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn+2.50+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn+2.50+ atoms. In the fifth O2- site, O2- is bonded to two equivalent La3+ and two Mn+2.50+ atoms to form corner-sharing OLa2Mn2 tetrahedra. In the sixth O2- site, O2- is bonded to two equivalent Sr2+ and two Mn+2.50+ atoms to form distorted corner-sharing OSr2Mn2 tetrahedra.},
doi = {10.17188/1656330},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}