Materials Data on KBa4Bi3O by Materials Project

doi:10.17188/1199599

Title: Materials Data on KBa4Bi3O by Materials Project

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Abstract

KBa4Bi3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K is bonded in a square co-planar geometry to four equivalent Bi atoms. All K–Bi bond lengths are 3.64 Å. Ba is bonded in a single-bond geometry to five Bi and one O atom. There are a spread of Ba–Bi bond distances ranging from 3.66–3.92 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to two equivalent K, six equivalent Ba, and one Bi atom. The Bi–Bi bond length is 3.11 Å. In the second Bi site, Bi is bonded in a 10-coordinate geometry to eight equivalent Ba atoms. O is bonded in a tetrahedral geometry to four equivalent Ba atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-23571

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; KBa4Bi3O; Ba-Bi-K-O

OSTI Identifier:: 1199599

DOI:: https://doi.org/10.17188/1199599

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                    The Materials Project. Materials Data on KBa4Bi3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199599.

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                    The Materials Project. Materials Data on KBa4Bi3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1199599

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                    The Materials Project. 2020.  
"Materials Data on KBa4Bi3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1199599.  https://www.osti.gov/servlets/purl/1199599. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1199599,

  title        = {Materials Data on KBa4Bi3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KBa4Bi3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K is bonded in a square co-planar geometry to four equivalent Bi atoms. All K–Bi bond lengths are 3.64 Å. Ba is bonded in a single-bond geometry to five Bi and one O atom. There are a spread of Ba–Bi bond distances ranging from 3.66–3.92 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to two equivalent K, six equivalent Ba, and one Bi atom. The Bi–Bi bond length is 3.11 Å. In the second Bi site, Bi is bonded in a 10-coordinate geometry to eight equivalent Ba atoms. O is bonded in a tetrahedral geometry to four equivalent Ba atoms.},

  doi          = {10.17188/1199599},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199599

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