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DOE OSTI · 1291615

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.

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36 MATERIALS SCIENCEcrystal structureK-O-TiKTiO3

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2020-07-20. Materials Data on KTiO3 by Materials Project. https://doi.org/10.17188/1291615

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