Materials Data on SrSbSe2F by Materials Project

doi:10.17188/1269220

Title: Materials Data on SrSbSe2F by Materials Project

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Abstract

SrSbSe2F crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SrSbSe2F sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Sr–Se bond lengths are 3.21 Å. All Sr–F bond lengths are 2.52 Å. Sb3+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing SbSe5 square pyramids. There are one shorter (2.56 Å) and four longer (2.94 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one Sb3+ atom. In the second Se2- site, Se2- is bonded in a square co-planar geometry to four equivalent Sb3+ atoms. 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:: 2020-07-15

Other Number(s):: mp-556194

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; SrSbSe2F; F-Sb-Se-Sr

OSTI Identifier:: 1269220

DOI:: https://doi.org/10.17188/1269220

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                    The Materials Project. Materials Data on SrSbSe2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269220.

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                    The Materials Project. Materials Data on SrSbSe2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1269220

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                    The Materials Project. 2020.  
"Materials Data on SrSbSe2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1269220.  https://www.osti.gov/servlets/purl/1269220. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1269220,

  title        = {Materials Data on SrSbSe2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrSbSe2F crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SrSbSe2F sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Sr–Se bond lengths are 3.21 Å. All Sr–F bond lengths are 2.52 Å. Sb3+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing SbSe5 square pyramids. There are one shorter (2.56 Å) and four longer (2.94 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one Sb3+ atom. In the second Se2- site, Se2- is bonded in a square co-planar geometry to four equivalent Sb3+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.},

  doi          = {10.17188/1269220},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269220

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