Materials Data on Sr2CoMoO6 by Materials Project

doi:10.17188/1193506

Title: Materials Data on Sr2CoMoO6 by Materials Project

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Abstract

Sr2CoMoO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.11 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. All Mo–O bond lengths are 1.95 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There are four shorter (2.06 Å) and two longer (2.17 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Mo6+, and one Co2+ atom to form a mixture of distorted edge and corner-sharing OSr4CoMo octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+, one Mo6+, and one Co2+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-18805

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; Sr2CoMoO6; Co-Mo-O-Sr

OSTI Identifier:: 1193506

DOI:: https://doi.org/10.17188/1193506

Citation Formats


                    The Materials Project. Materials Data on Sr2CoMoO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193506.

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                    The Materials Project. Materials Data on Sr2CoMoO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193506

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                    The Materials Project. 2020.  
"Materials Data on Sr2CoMoO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193506.  https://www.osti.gov/servlets/purl/1193506. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1193506,

  title        = {Materials Data on Sr2CoMoO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2CoMoO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.11 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. All Mo–O bond lengths are 1.95 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There are four shorter (2.06 Å) and two longer (2.17 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Mo6+, and one Co2+ atom to form a mixture of distorted edge and corner-sharing OSr4CoMo octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+, one Mo6+, and one Co2+ atom.},

  doi          = {10.17188/1193506},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193506

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