Materials Data on CsBr2F by Materials Project

doi:10.17188/1202734

Title: Materials Data on CsBr2F by Materials Project

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Abstract

CsBr2F crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one CsBr2F sheet oriented in the (0, 0, 1) direction. Cs is bonded in a square co-planar geometry to four equivalent F atoms. All Cs–F bond lengths are 3.11 Å. Br is bonded in a 1-coordinate geometry to one F atom. The Br–F bond length is 2.49 Å. F is bonded to four equivalent Cs and two equivalent Br atoms to form a mixture of corner and edge-sharing FCs4Br2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-17

Other Number(s):: mp-28650

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Br-Cs-F; CsBr2F; crystal structure

OSTI Identifier:: 1202734

DOI:: https://doi.org/10.17188/1202734

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                    Materials Data on CsBr2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202734.

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                    Materials Data on CsBr2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1202734

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                    2020.  
"Materials Data on CsBr2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1202734.  https://www.osti.gov/servlets/purl/1202734. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1202734,

  title        = {Materials Data on CsBr2F by Materials Project},

  
  abstractNote = {CsBr2F crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one CsBr2F sheet oriented in the (0, 0, 1) direction. Cs is bonded in a square co-planar geometry to four equivalent F atoms. All Cs–F bond lengths are 3.11 Å. Br is bonded in a 1-coordinate geometry to one F atom. The Br–F bond length is 2.49 Å. F is bonded to four equivalent Cs and two equivalent Br atoms to form a mixture of corner and edge-sharing FCs4Br2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1202734},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202734

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