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DOE OSTI · 1695321

Materials Data on ScO2 by Materials Project

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Abstract

ScO2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two ScO2 sheets oriented in the (0, 1, 0) direction. Sc is bonded to six O atoms to form a mixture of distorted corner and edge-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sc–O bond distances ranging from 2.08–2.19 Å. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Sc atoms to form a mixture of distorted corner and edge-sharing OSc4 trigonal pyramids. In the second O site, O is bonded in a water-like geometry to two equivalent Sc atoms.

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36 MATERIALS SCIENCEcrystal structureO-ScScO2

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2020-05-02. Materials Data on ScO2 by Materials Project. https://doi.org/10.17188/1695321

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