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Title: Materials Data on Ba2Sr2Mn3O10 by Materials Project

Abstract

Ba2Sr2Mn3O10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.10 Å. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.97 Å. There are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form face-sharing MnO6 octahedra. There is four shorter (1.92 Å) and two longer (1.95 Å) Mn–O bond length. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Mn–O bond distances ranging from 1.86–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Sr2+, and one Mn4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent Sr2+, and two equivalent Mn4+ atoms. In the third O2- site, O2- is bonded in a 6-coordinatemore » geometry to one Ba2+, three equivalent Sr2+, and two Mn4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, two equivalent Sr2+, and two Mn4+ atoms.« less

Publication Date:
Other Number(s):
mp-1228535
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; Ba2Sr2Mn3O10; Ba-Mn-O-Sr
OSTI Identifier:
1729505
DOI:
https://doi.org/10.17188/1729505

Citation Formats

The Materials Project. Materials Data on Ba2Sr2Mn3O10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729505.
The Materials Project. Materials Data on Ba2Sr2Mn3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1729505
The Materials Project. 2019. "Materials Data on Ba2Sr2Mn3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1729505. https://www.osti.gov/servlets/purl/1729505. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1729505,
title = {Materials Data on Ba2Sr2Mn3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2Sr2Mn3O10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.10 Å. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.97 Å. There are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form face-sharing MnO6 octahedra. There is four shorter (1.92 Å) and two longer (1.95 Å) Mn–O bond length. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Mn–O bond distances ranging from 1.86–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Sr2+, and one Mn4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent Sr2+, and two equivalent Mn4+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to one Ba2+, three equivalent Sr2+, and two Mn4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, two equivalent Sr2+, and two Mn4+ atoms.},
doi = {10.17188/1729505},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}