Materials Data on KNbO3 by Materials Project

doi:10.17188/1263162

Title: Materials Data on KNbO3 by Materials Project

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Abstract

KNbO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. There are a spread of K–O bond distances ranging from 2.78–3.08 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–14°. There are a spread of Nb–O bond distances ranging from 1.89–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-5246

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; KNbO3; K-Nb-O

OSTI Identifier:: 1263162

DOI:: https://doi.org/10.17188/1263162

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                    The Materials Project. Materials Data on KNbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263162.

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                    The Materials Project. Materials Data on KNbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263162

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                    The Materials Project. 2020.  
"Materials Data on KNbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263162.  https://www.osti.gov/servlets/purl/1263162. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1263162,

  title        = {Materials Data on KNbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KNbO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. There are a spread of K–O bond distances ranging from 2.78–3.08 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–14°. There are a spread of Nb–O bond distances ranging from 1.89–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms.},

  doi          = {10.17188/1263162},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263162

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