Materials Data on Mn(ReO5)2 by Materials Project

doi:10.17188/1716233

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 25°. There is two shorter (1.73 Å) and two longer (1.78 Å) Re–O bond length. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ReO4 tetrahedra. There are two shorter (1.95 Å) and four longer (2.06 Å) Mn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Re+6.50+ and one Mn7+ 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.

Authors:: The Materials Project

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

Other Number(s):: mp-1210731

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; Mn(ReO5)2; Mn-O-Re

OSTI Identifier:: 1716233

DOI:: https://doi.org/10.17188/1716233

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                    The Materials Project. Materials Data on Mn(ReO5)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716233.

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                    The Materials Project. Materials Data on Mn(ReO5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716233

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                    The Materials Project. 2020.  
"Materials Data on Mn(ReO5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716233.  https://www.osti.gov/servlets/purl/1716233. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1716233,

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

  author       = {The 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 25°. There is two shorter (1.73 Å) and two longer (1.78 Å) Re–O bond length. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ReO4 tetrahedra. There are two shorter (1.95 Å) and four longer (2.06 Å) Mn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Re+6.50+ and one Mn7+ 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          = {10.17188/1716233},

  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/10.17188/1716233

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