Materials Data on Mn2FeReO6 by Materials Project

doi:10.17188/1744394

Title: Materials Data on Mn2FeReO6 by Materials Project

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Abstract

ReMn2FeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Re–O bond distances ranging from 1.91–1.98 Å. Mn2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.14–2.74 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Fe–O bond distances ranging from 2.10–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Re5+, three equivalent Mn2+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re5+, three equivalent Mn2+, and one Fe3+ atom. In the third O2- site, O2- is bonded to one Re5+, two equivalent Mn2+, and one Fe3+ atom to form distorted corner-sharing OMn2FeRe tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-1105179

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; Mn2FeReO6; Fe-Mn-O-Re

OSTI Identifier:: 1744394

DOI:: https://doi.org/10.17188/1744394

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                    The Materials Project. Materials Data on Mn2FeReO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744394.

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                    The Materials Project. Materials Data on Mn2FeReO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744394

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                    The Materials Project. 2020.  
"Materials Data on Mn2FeReO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744394.  https://www.osti.gov/servlets/purl/1744394. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1744394,

  title        = {Materials Data on Mn2FeReO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReMn2FeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Re–O bond distances ranging from 1.91–1.98 Å. Mn2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.14–2.74 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Fe–O bond distances ranging from 2.10–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Re5+, three equivalent Mn2+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re5+, three equivalent Mn2+, and one Fe3+ atom. In the third O2- site, O2- is bonded to one Re5+, two equivalent Mn2+, and one Fe3+ atom to form distorted corner-sharing OMn2FeRe tetrahedra.},

  doi          = {10.17188/1744394},

  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/10.17188/1744394

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