Materials Data on Mn(ReO5)2 by Materials Project

doi:10.17188/1727502

Title: Materials Data on Mn(ReO5)2 by Materials Project

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Abstract

Mn(ReO5)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Mn(ReO5)2 ribbons oriented in the (0, 1, 0) direction. Re+6.50+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Re–O bond distances ranging from 1.72–1.79 Å. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ReO4 tetrahedra. There is two shorter (1.78 Å) and four longer (2.08 Å) Mn–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re+6.50+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom.

Publication Date:: Wed Jul 18 04:00:00 UTC 2018

Other Number(s):: mp-1103967

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Mn(ReO5)2; Mn-O-Re; crystal structure

OSTI Identifier:: 1727502

DOI:: https://doi.org/10.17188/1727502

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                    Materials Data on Mn(ReO5)2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1727502.

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                    Materials Data on Mn(ReO5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727502

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                    2018.  
"Materials Data on Mn(ReO5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727502.  https://www.osti.gov/servlets/purl/1727502. Pub date:Wed Jul 18 04:00:00 UTC 2018

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@article{osti_1727502,

  title        = {Materials Data on Mn(ReO5)2 by Materials Project},

  
  abstractNote = {Mn(ReO5)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Mn(ReO5)2 ribbons oriented in the (0, 1, 0) direction. Re+6.50+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Re–O bond distances ranging from 1.72–1.79 Å. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ReO4 tetrahedra. There is two shorter (1.78 Å) and four longer (2.08 Å) Mn–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re+6.50+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom.},

  doi          = {10.17188/1727502},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 04:00:00 UTC 2018},

  month        = {Wed Jul 18 04:00:00 UTC 2018}

}

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DOI: https://doi.org/10.17188/1727502

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