Materials Data on Rb3RuF12 by Materials Project

doi:10.17188/1706997

Title: Materials Data on Rb3RuF12 by Materials Project

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Abstract

Rb3RuF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight F atoms to form distorted edge-sharing RbF8 hexagonal bipyramids. There are four shorter (2.96 Å) and four longer (3.01 Å) Rb–F bond lengths. In the second Rb site, Rb is bonded to six F atoms to form edge-sharing RbF6 octahedra. There are a spread of Rb–F bond distances ranging from 2.73–2.93 Å. Ru is bonded in a square co-planar geometry to four equivalent F atoms. All Ru–F bond lengths are 1.90 Å. There are three inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to two Rb and one F atom. The F–F bond length is 1.82 Å. In the second F site, F is bonded in a 2-coordinate geometry to two Rb and one F atom. In the third F site, F is bonded in a distorted single-bond geometry to one Rb and one Ru atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1210428

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; Rb3RuF12; F-Rb-Ru

OSTI Identifier:: 1706997

DOI:: https://doi.org/10.17188/1706997

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                    The Materials Project. Materials Data on Rb3RuF12 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1706997.

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                    The Materials Project. Materials Data on Rb3RuF12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706997

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                    The Materials Project. 2019.  
"Materials Data on Rb3RuF12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706997.  https://www.osti.gov/servlets/purl/1706997. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1706997,

  title        = {Materials Data on Rb3RuF12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3RuF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight F atoms to form distorted edge-sharing RbF8 hexagonal bipyramids. There are four shorter (2.96 Å) and four longer (3.01 Å) Rb–F bond lengths. In the second Rb site, Rb is bonded to six F atoms to form edge-sharing RbF6 octahedra. There are a spread of Rb–F bond distances ranging from 2.73–2.93 Å. Ru is bonded in a square co-planar geometry to four equivalent F atoms. All Ru–F bond lengths are 1.90 Å. There are three inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to two Rb and one F atom. The F–F bond length is 1.82 Å. In the second F site, F is bonded in a 2-coordinate geometry to two Rb and one F atom. In the third F site, F is bonded in a distorted single-bond geometry to one Rb and one Ru atom.},

  doi          = {10.17188/1706997},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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