Materials Data on CeRh2O5 by Materials Project

doi:10.17188/1749460

Title: Materials Data on CeRh2O5 by Materials Project

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Abstract

CeRh2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.22–2.47 Å. Rh+3.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Rh–O bond distances ranging from 2.03–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ce3+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted corner and edge-sharing OCeRh3 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Rh+3.50+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Ce3+ and two equivalent Rh+3.50+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1200659

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; CeRh2O5; Ce-O-Rh

OSTI Identifier:: 1749460

DOI:: https://doi.org/10.17188/1749460

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                    The Materials Project. Materials Data on CeRh2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749460.

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                    The Materials Project. Materials Data on CeRh2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749460

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                    The Materials Project. 2020.  
"Materials Data on CeRh2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749460.  https://www.osti.gov/servlets/purl/1749460. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1749460,

  title        = {Materials Data on CeRh2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeRh2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.22–2.47 Å. Rh+3.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Rh–O bond distances ranging from 2.03–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ce3+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted corner and edge-sharing OCeRh3 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Rh+3.50+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Ce3+ and two equivalent Rh+3.50+ atoms.},

  doi          = {10.17188/1749460},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1749460

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