Materials Data on KBe2BO3F2 by Materials Project

doi:10.17188/1272752

Title: Materials Data on KBe2BO3F2 by Materials Project

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Abstract

KBe2BO3F2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All K–F bond lengths are 2.81 Å. Be2+ is bonded to three equivalent O2- and one F1- atom to form corner-sharing BeO3F tetrahedra. All Be–O bond lengths are 1.65 Å. The Be–F bond length is 1.54 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a trigonal planar geometry to two equivalent Be2+ and one B3+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Be2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-6870

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; KBe2BO3F2; B-Be-F-K-O

OSTI Identifier:: 1272752

DOI:: https://doi.org/10.17188/1272752

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                    The Materials Project. Materials Data on KBe2BO3F2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272752.

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                    The Materials Project. Materials Data on KBe2BO3F2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272752

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                    The Materials Project. 2020.  
"Materials Data on KBe2BO3F2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272752.  https://www.osti.gov/servlets/purl/1272752. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1272752,

  title        = {Materials Data on KBe2BO3F2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KBe2BO3F2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All K–F bond lengths are 2.81 Å. Be2+ is bonded to three equivalent O2- and one F1- atom to form corner-sharing BeO3F tetrahedra. All Be–O bond lengths are 1.65 Å. The Be–F bond length is 1.54 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a trigonal planar geometry to two equivalent Be2+ and one B3+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Be2+ atom.},

  doi          = {10.17188/1272752},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1272752

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