Materials Data on AsRhO4 by Materials Project

doi:10.17188/1722220

Title: Materials Data on AsRhO4 by Materials Project

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Abstract

RhAsO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with eight equivalent AsO6 octahedra and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are four shorter (2.02 Å) and two longer (2.05 Å) Rh–O bond lengths. As5+ is bonded to six O2- atoms to form AsO6 octahedra that share corners with eight equivalent RhO6 octahedra and edges with two equivalent AsO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There is two shorter (1.85 Å) and four longer (1.94 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Rh3+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Rh3+ and one As5+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1228749

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; AsRhO4; As-O-Rh

OSTI Identifier:: 1722220

DOI:: https://doi.org/10.17188/1722220

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                    The Materials Project. Materials Data on AsRhO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722220.

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                    The Materials Project. Materials Data on AsRhO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722220

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                    The Materials Project. 2020.  
"Materials Data on AsRhO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722220.  https://www.osti.gov/servlets/purl/1722220. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1722220,

  title        = {Materials Data on AsRhO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RhAsO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with eight equivalent AsO6 octahedra and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are four shorter (2.02 Å) and two longer (2.05 Å) Rh–O bond lengths. As5+ is bonded to six O2- atoms to form AsO6 octahedra that share corners with eight equivalent RhO6 octahedra and edges with two equivalent AsO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There is two shorter (1.85 Å) and four longer (1.94 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Rh3+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Rh3+ and one As5+ atom.},

  doi          = {10.17188/1722220},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1722220

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