Materials Data on KLiICl by Materials Project

doi:10.17188/1351475

Title: Materials Data on KLiICl by Materials Project

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Abstract

KLiICl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to two equivalent I1- and four equivalent Cl1- atoms to form a mixture of corner and edge-sharing KI2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both K–I bond lengths are 3.43 Å. All K–Cl bond lengths are 3.05 Å. Li1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Li–I bond lengths are 3.05 Å. I1- is bonded to two equivalent K1+ and four equivalent Li1+ atoms to form a mixture of corner and edge-sharing IK2Li4 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent K1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1021327

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; KLiICl; Cl-I-K-Li

OSTI Identifier:: 1351475

DOI:: https://doi.org/10.17188/1351475

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                    The Materials Project. Materials Data on KLiICl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1351475.

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                    The Materials Project. Materials Data on KLiICl by Materials Project.  United States.  doi:https://doi.org/10.17188/1351475

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                    The Materials Project. 2020.  
"Materials Data on KLiICl by Materials Project".  United States.  doi:https://doi.org/10.17188/1351475.  https://www.osti.gov/servlets/purl/1351475. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1351475,

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

  author       = {The Materials Project},

  abstractNote = {KLiICl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to two equivalent I1- and four equivalent Cl1- atoms to form a mixture of corner and edge-sharing KI2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both K–I bond lengths are 3.43 Å. All K–Cl bond lengths are 3.05 Å. Li1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Li–I bond lengths are 3.05 Å. I1- is bonded to two equivalent K1+ and four equivalent Li1+ atoms to form a mixture of corner and edge-sharing IK2Li4 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent K1+ atoms.},

  doi          = {10.17188/1351475},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1351475

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