Materials Data on Cs2HfI6 by Materials Project

doi:10.17188/1203773

Title: Materials Data on Cs2HfI6 by Materials Project

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Abstract

Cs2HfI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent HfI6 octahedra. All Cs–I bond lengths are 4.25 Å. Hf4+ is bonded to six equivalent I1- atoms to form HfI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Hf–I bond lengths are 2.86 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Hf4+ atom.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-29398

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; Cs2HfI6; Cs-Hf-I

OSTI Identifier:: 1203773

DOI:: https://doi.org/10.17188/1203773

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                    The Materials Project. Materials Data on Cs2HfI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203773.

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                    The Materials Project. Materials Data on Cs2HfI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203773

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                    The Materials Project. 2020.  
"Materials Data on Cs2HfI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203773.  https://www.osti.gov/servlets/purl/1203773. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1203773,

  title        = {Materials Data on Cs2HfI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2HfI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent HfI6 octahedra. All Cs–I bond lengths are 4.25 Å. Hf4+ is bonded to six equivalent I1- atoms to form HfI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Hf–I bond lengths are 2.86 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Hf4+ atom.},

  doi          = {10.17188/1203773},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203773

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