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DOE OSTI · 1314113

Materials Data on KBaO3 by Materials Project

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Abstract

KBaO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one kalium molecule and one BaO3 framework. In the BaO3 framework, Ba is bonded to six O atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.51 Å) Ba–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Ba atoms. In the second O site, O is bonded in a linear geometry to two equivalent Ba atoms. In the third O site, O is bonded in a linear geometry to two equivalent Ba atoms.

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36 MATERIALS SCIENCEBa-K-Ocrystal structureKBaO3

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2020-07-23. Materials Data on KBaO3 by Materials Project. https://doi.org/10.17188/1314113

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