Materials Data on Sr2MnRuO6 by Materials Project

doi:10.17188/1758227

Title: Materials Data on Sr2MnRuO6 by Materials Project

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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:: The Materials Project

Publication Date:: 2020-09-03

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

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                    The Materials Project. Materials Data on Sr2MnRuO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758227.

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                    The Materials Project. Materials Data on Sr2MnRuO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758227

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1758227

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