DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr2MnRuO6 by Materials Project

Abstract

Sr2MnRuO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.63 Å) and four longer (2.75 Å) Sr–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There are four shorter (1.96 Å) and two longer (2.23 Å) Mn–O bond lengths. Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There is two shorter (1.96 Å) and four longer (1.99 Å) Ru–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Mn2+, and one Ru6+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Mn2+, and one Ru6+ atom to form a mixture of distorted edge and corner-sharing OSr4MnRu octahedra. The corner-sharing octahedra tilt angles range from 0–6°.

Authors:
Publication Date:
Other Number(s):
mp-1218769
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2MnRuO6; Mn-O-Ru-Sr
OSTI Identifier:
1758227
DOI:
https://doi.org/10.17188/1758227

Citation Formats

The Materials Project. Materials Data on Sr2MnRuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758227.
The Materials Project. Materials Data on Sr2MnRuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1758227
The Materials Project. 2020. "Materials Data on Sr2MnRuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1758227. https://www.osti.gov/servlets/purl/1758227. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758227,
title = {Materials Data on Sr2MnRuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2MnRuO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.63 Å) and four longer (2.75 Å) Sr–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There are four shorter (1.96 Å) and two longer (2.23 Å) Mn–O bond lengths. Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There is two shorter (1.96 Å) and four longer (1.99 Å) Ru–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Mn2+, and one Ru6+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Mn2+, and one Ru6+ atom to form a mixture of distorted edge and corner-sharing OSr4MnRu octahedra. The corner-sharing octahedra tilt angles range from 0–6°.},
doi = {10.17188/1758227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}