Materials Data on KLi6IrO6 by Materials Project

doi:10.17188/1190689

Title: Materials Data on KLi6IrO6 by Materials Project

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Abstract

KLi6IrO6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to twelve equivalent Li1+ and twelve equivalent O2- atoms. All K–Li bond lengths are 2.99 Å. There are six shorter (2.99 Å) and six longer (3.10 Å) K–O bond lengths. Li1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+ and four equivalent O2- atoms. There is two shorter (1.95 Å) and two longer (1.98 Å) Li–O bond length. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.03 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, four equivalent Li1+, and one Ir5+ atom.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-14466

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; KLi6IrO6; Ir-K-Li-O

OSTI Identifier:: 1190689

DOI:: https://doi.org/10.17188/1190689

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                    The Materials Project. Materials Data on KLi6IrO6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1190689.

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                    The Materials Project. Materials Data on KLi6IrO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190689

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                    The Materials Project. 2017.  
"Materials Data on KLi6IrO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190689.  https://www.osti.gov/servlets/purl/1190689. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1190689,

  title        = {Materials Data on KLi6IrO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KLi6IrO6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to twelve equivalent Li1+ and twelve equivalent O2- atoms. All K–Li bond lengths are 2.99 Å. There are six shorter (2.99 Å) and six longer (3.10 Å) K–O bond lengths. Li1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+ and four equivalent O2- atoms. There is two shorter (1.95 Å) and two longer (1.98 Å) Li–O bond length. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.03 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, four equivalent Li1+, and one Ir5+ atom.},

  doi          = {10.17188/1190689},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1190689

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