Materials Data on RuOF4 by Materials Project

doi:10.17188/1283830

Title: Materials Data on RuOF4 by Materials Project

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Abstract

RuOF4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two RuOF4 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to one O2- and five F1- atoms to form corner-sharing RuOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. The Ru–O bond length is 1.66 Å. There are a spread of Ru–F bond distances ranging from 1.87–2.10 Å. In the second Ru6+ site, Ru6+ is bonded to one O2- and five F1- atoms to form corner-sharing RuOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. The Ru–O bond length is 1.66 Å. There are a spread of Ru–F bond distances ranging from 1.87–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ru6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Ru6+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ru6+more »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-683982

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; RuOF4; F-O-Ru

OSTI Identifier:: 1283830

DOI:: https://doi.org/10.17188/1283830

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                    The Materials Project. Materials Data on RuOF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283830.

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                    The Materials Project. Materials Data on RuOF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283830

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                    The Materials Project. 2020.  
"Materials Data on RuOF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283830.  https://www.osti.gov/servlets/purl/1283830. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1283830,

  title        = {Materials Data on RuOF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RuOF4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two RuOF4 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to one O2- and five F1- atoms to form corner-sharing RuOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. The Ru–O bond length is 1.66 Å. There are a spread of Ru–F bond distances ranging from 1.87–2.10 Å. In the second Ru6+ site, Ru6+ is bonded to one O2- and five F1- atoms to form corner-sharing RuOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. The Ru–O bond length is 1.66 Å. There are a spread of Ru–F bond distances ranging from 1.87–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ru6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Ru6+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ru6+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ru6+ atoms.},

  doi          = {10.17188/1283830},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1283830

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