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DOE OSTI · 1201902

Materials Data on InBrO by Materials Project

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Abstract

InOBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one InOBr sheet oriented in the (0, 0, 1) direction. In3+ is bonded to four equivalent O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing InBr2O4 octahedra. The corner-sharing octahedral tilt angles are 36°. There are two shorter (2.17 Å) and two longer (2.28 Å) In–O bond lengths. Both In–Br bond lengths are 2.71 Å. O2- is bonded to four equivalent In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent In3+ atoms.

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36 MATERIALS SCIENCEBr-In-Ocrystal structureInBrO

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2020-07-16. Materials Data on InBrO by Materials Project. https://doi.org/10.17188/1201902

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