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Title: Materials Data on Sr2MnMoO6 by Materials Project

Abstract

Sr2MnMoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.62 Å) and four longer (2.78 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.96 Å. In the third Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to four equivalent O2- atoms. All Sr–O bond lengths are 2.51 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 13–23°. All Mo–O bond lengths are 1.95 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 13–23°. There are two shorter (2.16 Å) and four longer (2.17 Å) Mn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to threemore » Sr2+, one Mo6+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Sr2+, one Mo6+, and one Mn2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Mo6+, and one Mn2+ atom.« less

Publication Date:
Other Number(s):
mp-705116
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; Sr2MnMoO6; Mn-Mo-O-Sr
OSTI Identifier:
1285843
DOI:
https://doi.org/10.17188/1285843

Citation Formats

The Materials Project. Materials Data on Sr2MnMoO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285843.
The Materials Project. Materials Data on Sr2MnMoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1285843
The Materials Project. 2020. "Materials Data on Sr2MnMoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1285843. https://www.osti.gov/servlets/purl/1285843. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1285843,
title = {Materials Data on Sr2MnMoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2MnMoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.62 Å) and four longer (2.78 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.96 Å. In the third Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to four equivalent O2- atoms. All Sr–O bond lengths are 2.51 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 13–23°. All Mo–O bond lengths are 1.95 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 13–23°. There are two shorter (2.16 Å) and four longer (2.17 Å) Mn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one Mo6+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Sr2+, one Mo6+, and one Mn2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Mo6+, and one Mn2+ atom.},
doi = {10.17188/1285843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}