Materials Data on Rb2HfF6 by Materials Project

doi:10.17188/1189834

Title: Materials Data on Rb2HfF6 by Materials Project

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Abstract

Rb2HfF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form distorted RbF12 cuboctahedra that share corners with six equivalent RbF12 cuboctahedra, corners with three equivalent HfF6 octahedra, faces with eight equivalent RbF12 cuboctahedra, and faces with three equivalent HfF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Rb–F bond distances ranging from 2.97–3.27 Å. Hf4+ is bonded to six equivalent F1- atoms to form HfF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with six equivalent RbF12 cuboctahedra. All Hf–F bond lengths are 2.01 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Hf4+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-13947

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; Rb2HfF6; F-Hf-Rb

OSTI Identifier:: 1189834

DOI:: https://doi.org/10.17188/1189834

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                    The Materials Project. Materials Data on Rb2HfF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189834.

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                    The Materials Project. Materials Data on Rb2HfF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189834

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                    The Materials Project. 2020.  
"Materials Data on Rb2HfF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189834.  https://www.osti.gov/servlets/purl/1189834. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189834,

  title        = {Materials Data on Rb2HfF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2HfF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form distorted RbF12 cuboctahedra that share corners with six equivalent RbF12 cuboctahedra, corners with three equivalent HfF6 octahedra, faces with eight equivalent RbF12 cuboctahedra, and faces with three equivalent HfF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Rb–F bond distances ranging from 2.97–3.27 Å. Hf4+ is bonded to six equivalent F1- atoms to form HfF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with six equivalent RbF12 cuboctahedra. All Hf–F bond lengths are 2.01 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Hf4+ atom.},

  doi          = {10.17188/1189834},

  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/10.17188/1189834

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