Materials Data on Sr2GdRuO6 by Materials Project

doi:10.17188/1192176

Title: Materials Data on Sr2GdRuO6 by Materials Project

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Abstract

Sr2GdRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.95 Å. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 25–27°. There are four shorter (2.27 Å) and two longer (2.28 Å) Gd–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 25–27°. There is four shorter (1.99 Å) and two longer (2.00 Å) Ru–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Gd3+, and one Ru5+ atom to form distorted corner-sharing OSr2GdRu tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Ru5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-16796

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; Sr2GdRuO6; Gd-O-Ru-Sr

OSTI Identifier:: 1192176

DOI:: https://doi.org/10.17188/1192176

Citation Formats


                    The Materials Project. Materials Data on Sr2GdRuO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192176.

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                    The Materials Project. Materials Data on Sr2GdRuO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192176

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                    The Materials Project. 2020.  
"Materials Data on Sr2GdRuO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192176.  https://www.osti.gov/servlets/purl/1192176. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1192176,

  title        = {Materials Data on Sr2GdRuO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2GdRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.95 Å. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 25–27°. There are four shorter (2.27 Å) and two longer (2.28 Å) Gd–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 25–27°. There is four shorter (1.99 Å) and two longer (2.00 Å) Ru–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Gd3+, and one Ru5+ atom to form distorted corner-sharing OSr2GdRu tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Ru5+ atom.},

  doi          = {10.17188/1192176},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192176

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