Materials Data on Rb3Ru2N(Cl4O)2 by Materials Project

doi:10.17188/1759300

Title: Materials Data on Rb3Ru2N(Cl4O)2 by Materials Project

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Abstract

Rb3Ru2N(OCl4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.46 Å. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.40 Å) and four longer (3.42 Å) Rb–Cl bond lengths. Ru6+ is bonded to one N3-, one O2-, and four Cl1- atoms to form distorted corner-sharing RuNCl4O octahedra. The corner-sharing octahedral tilt angles are 0°. The Ru–N bond length is 1.88 Å. The Ru–O bond length is 1.73 Å. There are two shorter (2.40 Å) and two longer (2.41 Å) Ru–Cl bond lengths. N3- is bonded in a linear geometry to two equivalent Ru6+ atoms. O2- is bonded in a single-bond geometry to one Ru6+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Rb1+ and one Ru6+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Rb1+ and one Ru6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1189158

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; Rb3Ru2N(Cl4O)2; Cl-N-O-Rb-Ru

OSTI Identifier:: 1759300

DOI:: https://doi.org/10.17188/1759300

Citation Formats


                    The Materials Project. Materials Data on Rb3Ru2N(Cl4O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759300.

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                    The Materials Project. Materials Data on Rb3Ru2N(Cl4O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759300

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                    The Materials Project. 2020.  
"Materials Data on Rb3Ru2N(Cl4O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759300.  https://www.osti.gov/servlets/purl/1759300. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759300,

  title        = {Materials Data on Rb3Ru2N(Cl4O)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Ru2N(OCl4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.46 Å. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.40 Å) and four longer (3.42 Å) Rb–Cl bond lengths. Ru6+ is bonded to one N3-, one O2-, and four Cl1- atoms to form distorted corner-sharing RuNCl4O octahedra. The corner-sharing octahedral tilt angles are 0°. The Ru–N bond length is 1.88 Å. The Ru–O bond length is 1.73 Å. There are two shorter (2.40 Å) and two longer (2.41 Å) Ru–Cl bond lengths. N3- is bonded in a linear geometry to two equivalent Ru6+ atoms. O2- is bonded in a single-bond geometry to one Ru6+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Rb1+ and one Ru6+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Rb1+ and one Ru6+ atom.},

  doi          = {10.17188/1759300},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1759300

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