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Title: Materials Data on Sr4Mn2Ga2O11 by Materials Project

Abstract

Sr4Mn2Ga2O11 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.09 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with two equivalent GaO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–20°. There are a spread of Mn–O bond distances ranging from 1.96–2.01 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with two equivalent MnO6 octahedra and corners with three equivalent GaO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 27°. There are a spread of Ga–O bond distances ranging from 1.83–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Mn4+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and two equivalent Mn4+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Mn4+ atoms to form a mixture ofmore » distorted corner and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ga3+ atoms. In the fifth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing OSr4Ga2 octahedra. The corner-sharing octahedra tilt angles range from 1–8°.« less

Publication Date:
Other Number(s):
mp-1218651
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; Sr4Mn2Ga2O11; Ga-Mn-O-Sr
OSTI Identifier:
1655306
DOI:
https://doi.org/10.17188/1655306

Citation Formats

The Materials Project. Materials Data on Sr4Mn2Ga2O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655306.
The Materials Project. Materials Data on Sr4Mn2Ga2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1655306
The Materials Project. 2020. "Materials Data on Sr4Mn2Ga2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1655306. https://www.osti.gov/servlets/purl/1655306. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1655306,
title = {Materials Data on Sr4Mn2Ga2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4Mn2Ga2O11 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.09 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with two equivalent GaO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–20°. There are a spread of Mn–O bond distances ranging from 1.96–2.01 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with two equivalent MnO6 octahedra and corners with three equivalent GaO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 27°. There are a spread of Ga–O bond distances ranging from 1.83–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Mn4+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and two equivalent Mn4+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Mn4+ atoms to form a mixture of distorted corner and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ga3+ atoms. In the fifth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing OSr4Ga2 octahedra. The corner-sharing octahedra tilt angles range from 1–8°.},
doi = {10.17188/1655306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}