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DOE OSTI · 1290158

Materials Data on ErClO by Materials Project

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Abstract

ErOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErOCl sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing ErCl2O4 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.22 Å) and two longer (2.28 Å) Er–O bond lengths. Both Er–Cl bond lengths are 2.66 Å. O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.

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36 MATERIALS SCIENCECl-Er-Ocrystal structureErClO

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2020-07-20. Materials Data on ErClO by Materials Project. https://doi.org/10.17188/1290158

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