Materials Data on Sr3Rh2O7 by Materials Project

doi:10.17188/1288896

Title: Materials Data on Sr3Rh2O7 by Materials Project

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Abstract

Sr3Rh2O7 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.77 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.54 Å) and four longer (2.77 Å) Sr–O bond lengths. Rh4+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There are a spread of Rh–O bond distances ranging from 2.01–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Rh4+ atom to form OSr5Rh octahedra that share corners with five OSr4Rh2 octahedra and edges with eight equivalent OSr5Rh octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Rh4+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Rh4+ atoms to form a mixture of distorted cornermore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-753070

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; Sr3Rh2O7; O-Rh-Sr

OSTI Identifier:: 1288896

DOI:: https://doi.org/10.17188/1288896

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                    The Materials Project. Materials Data on Sr3Rh2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288896.

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                    The Materials Project. Materials Data on Sr3Rh2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288896

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                    The Materials Project. 2020.  
"Materials Data on Sr3Rh2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288896.  https://www.osti.gov/servlets/purl/1288896. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1288896,

  title        = {Materials Data on Sr3Rh2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3Rh2O7 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.77 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.54 Å) and four longer (2.77 Å) Sr–O bond lengths. Rh4+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There are a spread of Rh–O bond distances ranging from 2.01–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Rh4+ atom to form OSr5Rh octahedra that share corners with five OSr4Rh2 octahedra and edges with eight equivalent OSr5Rh octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Rh4+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Rh4+ atoms to form a mixture of distorted corner and edge-sharing OSr4Rh2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1288896},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1288896

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