Materials Data on RbRuN2 by Materials Project

doi:10.17188/1745003

Title: Materials Data on RbRuN2 by Materials Project

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Abstract

RbRuN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 3.02–3.07 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Rb–N bond distances ranging from 3.13–3.50 Å. There are two inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.88 Å. In the second Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There are a spread of Ru–N bond distances ranging from 1.87–1.89 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two Rb1+ and two equivalent Ru5+ atoms. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three Rb1+ and two Ru5+ atoms. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three equivalent Rb1+more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1029922

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; RbRuN2; N-Rb-Ru

OSTI Identifier:: 1745003

DOI:: https://doi.org/10.17188/1745003

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                    The Materials Project. Materials Data on RbRuN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745003.

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                    The Materials Project. Materials Data on RbRuN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745003

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                    The Materials Project. 2020.  
"Materials Data on RbRuN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745003.  https://www.osti.gov/servlets/purl/1745003. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1745003,

  title        = {Materials Data on RbRuN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbRuN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 3.02–3.07 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Rb–N bond distances ranging from 3.13–3.50 Å. There are two inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.88 Å. In the second Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There are a spread of Ru–N bond distances ranging from 1.87–1.89 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two Rb1+ and two equivalent Ru5+ atoms. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three Rb1+ and two Ru5+ atoms. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three equivalent Rb1+ and two Ru5+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two equivalent Ru5+ atoms.},

  doi          = {10.17188/1745003},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1745003

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