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Title: Materials Data on SrMn7O12 by Materials Project

Abstract

SrMn7O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Sr–O bond lengths are 2.71 Å. There are two inequivalent Mn+3.14+ sites. In the first Mn+3.14+ site, Mn+3.14+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.97 Å. In the second Mn+3.14+ site, Mn+3.14+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Mn–O bond lengths are 2.01 Å. O2- is bonded in a 3-coordinate geometry to one Sr2+ and three Mn+3.14+ atoms.

Publication Date:
Other Number(s):
mp-1105343
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; SrMn7O12; Mn-O-Sr
OSTI Identifier:
1686555
DOI:
https://doi.org/10.17188/1686555

Citation Formats

The Materials Project. Materials Data on SrMn7O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686555.
The Materials Project. Materials Data on SrMn7O12 by Materials Project. United States. doi:https://doi.org/10.17188/1686555
The Materials Project. 2020. "Materials Data on SrMn7O12 by Materials Project". United States. doi:https://doi.org/10.17188/1686555. https://www.osti.gov/servlets/purl/1686555. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686555,
title = {Materials Data on SrMn7O12 by Materials Project},
author = {The Materials Project},
abstractNote = {SrMn7O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Sr–O bond lengths are 2.71 Å. There are two inequivalent Mn+3.14+ sites. In the first Mn+3.14+ site, Mn+3.14+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.97 Å. In the second Mn+3.14+ site, Mn+3.14+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Mn–O bond lengths are 2.01 Å. O2- is bonded in a 3-coordinate geometry to one Sr2+ and three Mn+3.14+ atoms.},
doi = {10.17188/1686555},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}