Materials Data on Sr(RhO2)4 by Materials Project

doi:10.17188/1734145

Title: Materials Data on Sr(RhO2)4 by Materials Project

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Abstract

Sr(RhO2)4 is pyrite-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.71 Å. There are two inequivalent Rh+3.50+ sites. In the first Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are three shorter (2.00 Å) and three longer (2.09 Å) Rh–O bond lengths. In the second Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are a spread of Rh–O bond distances ranging from 1.94–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three Rh+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Rh+3.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three equivalent Rh+3.50+ atoms. In the fourth O2- site, O2-more »« less

Publication Date:: 2019-01-12

Other Number(s):: mp-1218903

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; O-Rh-Sr; Sr(RhO2)4; crystal structure

OSTI Identifier:: 1734145

DOI:: https://doi.org/10.17188/1734145

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                    Materials Data on Sr(RhO2)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1734145.

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                    Materials Data on Sr(RhO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734145

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                    2019.  
"Materials Data on Sr(RhO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734145.  https://www.osti.gov/servlets/purl/1734145. Pub date:Sat Jan 12 04:00:00 UTC 2019

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@article{osti_1734145,

  title        = {Materials Data on Sr(RhO2)4 by Materials Project},

  
  abstractNote = {Sr(RhO2)4 is pyrite-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.71 Å. There are two inequivalent Rh+3.50+ sites. In the first Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are three shorter (2.00 Å) and three longer (2.09 Å) Rh–O bond lengths. In the second Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are a spread of Rh–O bond distances ranging from 1.94–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three Rh+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Rh+3.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three equivalent Rh+3.50+ atoms. In the fourth O2- site, O2- is bonded to one Sr2+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing OSrRh3 trigonal pyramids.},

  doi          = {10.17188/1734145},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1734145

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