Materials Data on K2HfF6 by Materials Project

doi:10.17188/1308090

Title: Materials Data on K2HfF6 by Materials Project

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Abstract

K2HfF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.64 Å) and six longer (2.83 Å) K–F bond lengths. Hf4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.07 Å) and six longer (2.25 Å) Hf–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing FK2Hf2 tetrahedra. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Hf4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-8415

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; K2HfF6; F-Hf-K

OSTI Identifier:: 1308090

DOI:: https://doi.org/10.17188/1308090

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                    The Materials Project. Materials Data on K2HfF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308090.

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                    The Materials Project. Materials Data on K2HfF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308090

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                    The Materials Project. 2020.  
"Materials Data on K2HfF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308090.  https://www.osti.gov/servlets/purl/1308090. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1308090,

  title        = {Materials Data on K2HfF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2HfF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.64 Å) and six longer (2.83 Å) K–F bond lengths. Hf4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.07 Å) and six longer (2.25 Å) Hf–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing FK2Hf2 tetrahedra. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Hf4+ atom.},

  doi          = {10.17188/1308090},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1308090

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