Materials Data on Y2NiRuO6 by Materials Project

doi:10.17188/1707359

Title: Materials Data on Y2NiRuO6 by Materials Project

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Abstract

Y2RuNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.76 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are two shorter (2.02 Å) and four longer (2.03 Å) Ru–O bond lengths. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Ni–O bond distances ranging from 2.06–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+, one Ru4+, and one Ni2+ atom to form distorted corner-sharing OY2NiRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Ru4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Ru4+, and one Ni2+ atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1207752

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; Y2NiRuO6; Ni-O-Ru-Y

OSTI Identifier:: 1707359

DOI:: https://doi.org/10.17188/1707359

Citation Formats


                    The Materials Project. Materials Data on Y2NiRuO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707359.

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                    The Materials Project. Materials Data on Y2NiRuO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707359

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                    The Materials Project. 2020.  
"Materials Data on Y2NiRuO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707359.  https://www.osti.gov/servlets/purl/1707359. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1707359,

  title        = {Materials Data on Y2NiRuO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2RuNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.76 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are two shorter (2.02 Å) and four longer (2.03 Å) Ru–O bond lengths. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Ni–O bond distances ranging from 2.06–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+, one Ru4+, and one Ni2+ atom to form distorted corner-sharing OY2NiRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Ru4+, and one Ni2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Ru4+, and one Ni2+ atom.},

  doi          = {10.17188/1707359},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1707359

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