Materials Data on K4IrO4 by Materials Project

doi:10.17188/1308097

Title: Materials Data on K4IrO4 by Materials Project

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Abstract

K4IrO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.78–2.97 Å. In the second K1+ site, K1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. All K–O bond lengths are 2.68 Å. Ir4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ir–O bond lengths are 1.94 Å. O2- is bonded in a 6-coordinate geometry to five K1+ and one Ir4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-8429

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; K4IrO4; Ir-K-O

OSTI Identifier:: 1308097

DOI:: https://doi.org/10.17188/1308097

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                    The Materials Project. Materials Data on K4IrO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308097.

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                    The Materials Project. Materials Data on K4IrO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308097

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                    The Materials Project. 2020.  
"Materials Data on K4IrO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308097.  https://www.osti.gov/servlets/purl/1308097. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1308097,

  title        = {Materials Data on K4IrO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K4IrO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.78–2.97 Å. In the second K1+ site, K1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. All K–O bond lengths are 2.68 Å. Ir4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ir–O bond lengths are 1.94 Å. O2- is bonded in a 6-coordinate geometry to five K1+ and one Ir4+ atom.},

  doi          = {10.17188/1308097},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1308097

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