Materials Data on RhF5 by Materials Project

doi:10.17188/1264484

Title: Materials Data on RhF5 by Materials Project

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Abstract

RhF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two RhF5 clusters. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six F atoms to form corner-sharing RhF6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Rh–F bond distances ranging from 1.86–2.04 Å. In the second Rh site, Rh is bonded to six F atoms to form corner-sharing RhF6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Rh–F bond distances ranging from 1.86–2.04 Å. There are ten inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Rh atom. In the second F site, F is bonded in a single-bond geometry to one Rh atom. In the third F site, F is bonded in a single-bond geometry to one Rh atom. In the fourth F site, F is bonded in a single-bond geometry to one Rh atom. In the fifth F site, F is bonded in a single-bond geometry to one Rh atom. In the sixth F site, F is bonded in a single-bond geometry to one Rh atom.more »« less

Publication Date:: 2020-07-15

Other Number(s):: mp-540622

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; F-Rh; RhF5; crystal structure

OSTI Identifier:: 1264484

DOI:: https://doi.org/10.17188/1264484

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                    Materials Data on RhF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264484.

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                    Materials Data on RhF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264484

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                    2020.  
"Materials Data on RhF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264484.  https://www.osti.gov/servlets/purl/1264484. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1264484,

  title        = {Materials Data on RhF5 by Materials Project},

  
  abstractNote = {RhF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two RhF5 clusters. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six F atoms to form corner-sharing RhF6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Rh–F bond distances ranging from 1.86–2.04 Å. In the second Rh site, Rh is bonded to six F atoms to form corner-sharing RhF6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Rh–F bond distances ranging from 1.86–2.04 Å. There are ten inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Rh atom. In the second F site, F is bonded in a single-bond geometry to one Rh atom. In the third F site, F is bonded in a single-bond geometry to one Rh atom. In the fourth F site, F is bonded in a single-bond geometry to one Rh atom. In the fifth F site, F is bonded in a single-bond geometry to one Rh atom. In the sixth F site, F is bonded in a single-bond geometry to one Rh atom. In the seventh F site, F is bonded in a single-bond geometry to one Rh atom. In the eighth F site, F is bonded in a single-bond geometry to one Rh atom. In the ninth F site, F is bonded in a distorted bent 150 degrees geometry to two Rh atoms. In the tenth F site, F is bonded in a bent 120 degrees geometry to two Rh atoms.},

  doi          = {10.17188/1264484},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1264484

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