Materials Data on SrNiF6 by Materials Project

doi:10.17188/1268950

Title: Materials Data on SrNiF6 by Materials Project

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Abstract

SrNiF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent F1- atoms to form SrF12 cuboctahedra that share corners with six equivalent NiF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent NiF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are six shorter (2.68 Å) and six longer (2.75 Å) Sr–F bond lengths. Ni4+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Ni–F bond lengths are 1.80 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Ni4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-555718

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; SrNiF6; F-Ni-Sr

OSTI Identifier:: 1268950

DOI:: https://doi.org/10.17188/1268950

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                    The Materials Project. Materials Data on SrNiF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268950.

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                    The Materials Project. Materials Data on SrNiF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268950

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                    The Materials Project. 2020.  
"Materials Data on SrNiF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268950.  https://www.osti.gov/servlets/purl/1268950. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1268950,

  title        = {Materials Data on SrNiF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrNiF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent F1- atoms to form SrF12 cuboctahedra that share corners with six equivalent NiF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent NiF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are six shorter (2.68 Å) and six longer (2.75 Å) Sr–F bond lengths. Ni4+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Ni–F bond lengths are 1.80 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Ni4+ atom.},

  doi          = {10.17188/1268950},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268950

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