Materials Data on RbC2I3N2 by Materials Project

doi:10.17188/1276805

Title: Materials Data on RbC2I3N2 by Materials Project

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Abstract

RbC2N2I3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Rb1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- and two equivalent I1- atoms. There are two shorter (3.05 Å) and two longer (3.19 Å) Rb–N bond lengths. Both Rb–I bond lengths are 3.98 Å. C4+ is bonded in a distorted linear geometry to one N3- and one I1- atom. The C–N bond length is 1.17 Å. The C–I bond length is 2.07 Å. N3- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one C4+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one C4+ and one I1- atom. The I–I bond length is 3.21 Å. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent I1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-580962

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; RbC2I3N2; C-I-N-Rb

OSTI Identifier:: 1276805

DOI:: https://doi.org/10.17188/1276805

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                    The Materials Project. Materials Data on RbC2I3N2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276805.

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                    The Materials Project. Materials Data on RbC2I3N2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276805

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                    The Materials Project. 2020.  
"Materials Data on RbC2I3N2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276805.  https://www.osti.gov/servlets/purl/1276805. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1276805,

  title        = {Materials Data on RbC2I3N2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbC2N2I3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Rb1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- and two equivalent I1- atoms. There are two shorter (3.05 Å) and two longer (3.19 Å) Rb–N bond lengths. Both Rb–I bond lengths are 3.98 Å. C4+ is bonded in a distorted linear geometry to one N3- and one I1- atom. The C–N bond length is 1.17 Å. The C–I bond length is 2.07 Å. N3- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one C4+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one C4+ and one I1- atom. The I–I bond length is 3.21 Å. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent I1- atoms.},

  doi          = {10.17188/1276805},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276805

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