Materials Data on KSbO3 by Materials Project

doi:10.17188/1267316

Title: Materials Data on KSbO3 by Materials Project

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Abstract

KSbO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.62 Å) and three longer (2.96 Å) K–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form edge-sharing SbO6 octahedra. There are three shorter (2.03 Å) and three longer (2.04 Å) Sb–O bond lengths. O2- is bonded in a 3-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-547792

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; KSbO3; K-O-Sb

OSTI Identifier:: 1267316

DOI:: https://doi.org/10.17188/1267316

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                    The Materials Project. Materials Data on KSbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267316.

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                    The Materials Project. Materials Data on KSbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267316

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                    The Materials Project. 2020.  
"Materials Data on KSbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267316.  https://www.osti.gov/servlets/purl/1267316. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267316,

  title        = {Materials Data on KSbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KSbO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.62 Å) and three longer (2.96 Å) K–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form edge-sharing SbO6 octahedra. There are three shorter (2.03 Å) and three longer (2.04 Å) Sb–O bond lengths. O2- is bonded in a 3-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms.},

  doi          = {10.17188/1267316},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267316

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Materials Data on KSbO3 by Materials Project

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KSbO3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.68 Å. Sb5+ is bonded to six equivalent O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Sb–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms.
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KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.50–2.86 Å. Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.88–2.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent K1+ and one Sb5+ atom to form OK3Sb tetrahedra that share corners with five OK3Sb tetrahedra, corners with six equivalent OKSb3 trigonal pyramids, and edgesmore »« less
Materials Data on KSbO3 by Materials Project

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KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–2.95 Å. Sb5+ is bonded to five O2- atoms to form edge-sharing SbO5 square pyramids. There are a spread of Sb–O bond distances ranging from 2.07–2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry tomore »« less
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KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.60–2.99 Å. Sb5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 1.89–2.42 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent K1+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry tomore »« less

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