Materials Data on KBiO3 by Materials Project

doi:10.17188/1204255

Title: Materials Data on KBiO3 by Materials Project

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Abstract

KBiO3 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.75 Å. In the second K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.75 Å) and three longer (3.06 Å) K–O bond lengths. Bi5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded to two K1+ and two equivalent Bi5+ atoms to form a mixture of distorted corner and edge-sharing OK2Bi2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-29799

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; KBiO3; Bi-K-O

OSTI Identifier:: 1204255

DOI:: https://doi.org/10.17188/1204255

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                    The Materials Project. Materials Data on KBiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204255.

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                    The Materials Project. Materials Data on KBiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204255

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                    The Materials Project. 2020.  
"Materials Data on KBiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204255.  https://www.osti.gov/servlets/purl/1204255. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204255,

  title        = {Materials Data on KBiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KBiO3 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.75 Å. In the second K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.75 Å) and three longer (3.06 Å) K–O bond lengths. Bi5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded to two K1+ and two equivalent Bi5+ atoms to form a mixture of distorted corner and edge-sharing OK2Bi2 tetrahedra.},

  doi          = {10.17188/1204255},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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