Materials Data on ReSbOF10 by Materials Project

doi:10.17188/1267898

Title: Materials Data on ReSbOF10 by Materials Project

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Abstract

Re2O2F9Sb2F11 is Tetraauricupride structured and crystallizes in the monoclinic P2 space group. The structure is zero-dimensional and consists of one Re2O2F9 cluster and one Sb2F11 cluster. In the Re2O2F9 cluster, Re7+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing ReOF5 octahedra. The corner-sharing octahedral tilt angles are 8°. The Re–O bond length is 1.68 Å. There are a spread of Re–F bond distances ranging from 1.84–2.13 Å. O2- is bonded in a single-bond geometry to one Re7+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Re7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the Sb2F11 cluster, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There is five shorter (1.90 Å) andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-554432

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; ReSbOF10; F-O-Re-Sb

OSTI Identifier:: 1267898

DOI:: https://doi.org/10.17188/1267898

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                    The Materials Project. Materials Data on ReSbOF10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267898.

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                    The Materials Project. Materials Data on ReSbOF10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267898

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                    The Materials Project. 2020.  
"Materials Data on ReSbOF10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267898.  https://www.osti.gov/servlets/purl/1267898. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1267898,

  title        = {Materials Data on ReSbOF10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re2O2F9Sb2F11 is Tetraauricupride structured and crystallizes in the monoclinic P2 space group. The structure is zero-dimensional and consists of one Re2O2F9 cluster and one Sb2F11 cluster. In the Re2O2F9 cluster, Re7+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing ReOF5 octahedra. The corner-sharing octahedral tilt angles are 8°. The Re–O bond length is 1.68 Å. There are a spread of Re–F bond distances ranging from 1.84–2.13 Å. O2- is bonded in a single-bond geometry to one Re7+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Re7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the Sb2F11 cluster, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There is five shorter (1.90 Å) and one longer (2.08 Å) Sb–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Sb5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.},

  doi          = {10.17188/1267898},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267898

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