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DOE OSTI · 1201901

Materials Data on InClO by Materials Project

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Abstract

InOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one InOCl sheet oriented in the (0, 0, 1) direction. In3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing InCl2O4 octahedra. The corner-sharing octahedral tilt angles are 34°. There are two shorter (2.17 Å) and two longer (2.26 Å) In–O bond lengths. Both In–Cl bond lengths are 2.55 Å. O2- is bonded to four equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent In3+ atoms.

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36 MATERIALS SCIENCECl-In-Ocrystal structureInClO

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2020-07-15. Materials Data on InClO by Materials Project. https://doi.org/10.17188/1201901

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