Materials Data on Re3O8 by Materials Project

doi:10.17188/1206383

Title: Materials Data on Re3O8 by Materials Project

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Abstract

Re3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Re+5.33+ sites. In the first Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There is four shorter (1.90 Å) and two longer (2.00 Å) Re–O bond length. In the second Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Re–O bond distances ranging from 1.90–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three Re+5.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Re+5.33+ atoms. In the third O2- site, O2- is bonded in an L-shaped geometry to two equivalent Re+5.33+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-32795

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; Re3O8; O-Re

OSTI Identifier:: 1206383

DOI:: https://doi.org/10.17188/1206383

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                    The Materials Project. Materials Data on Re3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206383.

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                    The Materials Project. Materials Data on Re3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206383

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                    The Materials Project. 2020.  
"Materials Data on Re3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206383.  https://www.osti.gov/servlets/purl/1206383. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1206383,

  title        = {Materials Data on Re3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Re+5.33+ sites. In the first Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There is four shorter (1.90 Å) and two longer (2.00 Å) Re–O bond length. In the second Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Re–O bond distances ranging from 1.90–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three Re+5.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Re+5.33+ atoms. In the third O2- site, O2- is bonded in an L-shaped geometry to two equivalent Re+5.33+ atoms.},

  doi          = {10.17188/1206383},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206383

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