Materials Data on Ir(N3O4)3 by Materials Project

doi:10.17188/1707045

Title: Materials Data on Ir(N3O4)3 by Materials Project

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Abstract

(Ir(NO2)6)2(N2)3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of twelve ammonia molecules and four Ir(NO2)6 clusters. In each Ir(NO2)6 cluster, Ir3+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Ir–O bond lengths are 2.26 Å. N+2.33+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All N–O bond lengths are 1.95 Å. O2- is bonded in a 3-coordinate geometry to one Ir3+ and two equivalent N+2.33+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1191949

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; Ir(N3O4)3; Ir-N-O

OSTI Identifier:: 1707045

DOI:: https://doi.org/10.17188/1707045

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                    The Materials Project. Materials Data on Ir(N3O4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707045.

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                    The Materials Project. Materials Data on Ir(N3O4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707045

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                    The Materials Project. 2020.  
"Materials Data on Ir(N3O4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707045.  https://www.osti.gov/servlets/purl/1707045. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1707045,

  title        = {Materials Data on Ir(N3O4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Ir(NO2)6)2(N2)3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of twelve ammonia molecules and four Ir(NO2)6 clusters. In each Ir(NO2)6 cluster, Ir3+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Ir–O bond lengths are 2.26 Å. N+2.33+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All N–O bond lengths are 1.95 Å. O2- is bonded in a 3-coordinate geometry to one Ir3+ and two equivalent N+2.33+ atoms.},

  doi          = {10.17188/1707045},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707045

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