Materials Data on KTiO3 by Materials Project

doi:10.17188/1291615

Title: Materials Data on KTiO3 by Materials Project

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Abstract

KTiO3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.85 Å) and four longer (2.91 Å) K–O bond lengths. Ti is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.73 Å) and four longer (1.95 Å) Ti–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent K and two equivalent Ti atoms. In the second O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Ti atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-760376

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; KTiO3; K-O-Ti

OSTI Identifier:: 1291615

DOI:: https://doi.org/10.17188/1291615

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                    The Materials Project. Materials Data on KTiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291615.

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                    The Materials Project. Materials Data on KTiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291615

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                    The Materials Project. 2020.  
"Materials Data on KTiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291615.  https://www.osti.gov/servlets/purl/1291615. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1291615,

  title        = {Materials Data on KTiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KTiO3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.85 Å) and four longer (2.91 Å) K–O bond lengths. Ti is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.73 Å) and four longer (1.95 Å) Ti–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent K and two equivalent Ti atoms. In the second O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Ti atom.},

  doi          = {10.17188/1291615},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1291615

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