Materials Data on YRhO3 by Materials Project

doi:10.17188/1741998

Title: Materials Data on YRhO3 by Materials Project

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Abstract

YRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma 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 2.24–2.72 Å. Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are two shorter (2.07 Å) and four longer (2.09 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Rh3+ atoms to form distorted corner-sharing OY2Rh2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1207629

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; YRhO3; O-Rh-Y

OSTI Identifier:: 1741998

DOI:: https://doi.org/10.17188/1741998

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                    The Materials Project. Materials Data on YRhO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741998.

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                    The Materials Project. Materials Data on YRhO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741998

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                    The Materials Project. 2020.  
"Materials Data on YRhO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741998.  https://www.osti.gov/servlets/purl/1741998. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1741998,

  title        = {Materials Data on YRhO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma 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 2.24–2.72 Å. Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are two shorter (2.07 Å) and four longer (2.09 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Rh3+ atoms to form distorted corner-sharing OY2Rh2 trigonal pyramids.},

  doi          = {10.17188/1741998},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741998

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