Materials Data on SrBiS2F by Materials Project

doi:10.17188/1746930

Title: Materials Data on SrBiS2F by Materials Project

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Abstract

SrFBiS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent F1- atoms. All Sr–S bond lengths are 3.14 Å. All Sr–F bond lengths are 2.51 Å. Bi3+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Bi–S bond distances ranging from 2.51–3.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one Bi3+ atom. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1078631

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; SrBiS2F; Bi-F-S-Sr

OSTI Identifier:: 1746930

DOI:: https://doi.org/10.17188/1746930

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                    The Materials Project. Materials Data on SrBiS2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746930.

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                    The Materials Project. Materials Data on SrBiS2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1746930

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                    The Materials Project. 2020.  
"Materials Data on SrBiS2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1746930.  https://www.osti.gov/servlets/purl/1746930. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1746930,

  title        = {Materials Data on SrBiS2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrFBiS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent F1- atoms. All Sr–S bond lengths are 3.14 Å. All Sr–F bond lengths are 2.51 Å. Bi3+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Bi–S bond distances ranging from 2.51–3.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one Bi3+ atom. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.},

  doi          = {10.17188/1746930},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746930

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