Materials Data on MnReO4 by Materials Project

doi:10.17188/1205968

Title: Materials Data on MnReO4 by Materials Project

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Abstract

ReMnO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Re–O bond distances ranging from 1.83–2.07 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Mn–O bond distances ranging from 2.16–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-31906

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; MnReO4; Mn-O-Re

OSTI Identifier:: 1205968

DOI:: https://doi.org/10.17188/1205968

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                    The Materials Project. Materials Data on MnReO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205968.

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                    The Materials Project. Materials Data on MnReO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205968

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                    The Materials Project. 2020.  
"Materials Data on MnReO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205968.  https://www.osti.gov/servlets/purl/1205968. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205968,

  title        = {Materials Data on MnReO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReMnO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Re–O bond distances ranging from 1.83–2.07 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Mn–O bond distances ranging from 2.16–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent Mn2+ atoms.},

  doi          = {10.17188/1205968},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205968

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