Materials Data on RuF5 by Materials Project

doi:10.17188/1264821

Title: Materials Data on RuF5 by Materials Project

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Abstract

RuF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two RuF5 clusters. Ru5+ is bonded to six F1- atoms to form corner-sharing RuF6 octahedra. The corner-sharing octahedra tilt angles range from 40–45°. There are a spread of Ru–F bond distances ranging from 1.84–2.05 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.87 Å. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ru5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.87 Å. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.84 Å. In the eighth F1- site, F1- ismore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-540829

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; RuF5; F-Ru

OSTI Identifier:: 1264821

DOI:: https://doi.org/10.17188/1264821

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                    The Materials Project. Materials Data on RuF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264821.

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                    The Materials Project. Materials Data on RuF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264821

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                    The Materials Project. 2020.  
"Materials Data on RuF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264821.  https://www.osti.gov/servlets/purl/1264821. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1264821,

  title        = {Materials Data on RuF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RuF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two RuF5 clusters. Ru5+ is bonded to six F1- atoms to form corner-sharing RuF6 octahedra. The corner-sharing octahedra tilt angles range from 40–45°. There are a spread of Ru–F bond distances ranging from 1.84–2.05 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.87 Å. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ru5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.87 Å. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.84 Å. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.84 Å. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ru5+ atoms.},

  doi          = {10.17188/1264821},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1264821

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