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DOE OSTI · 1355398

Materials Data on NdBrO2 by Materials Project

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Abstract

NdO2Br crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to seven O and three equivalent Br atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.74 Å. There are one shorter (3.01 Å) and two longer (3.20 Å) Nd–Br bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.51 Å. In the second O site, O is bonded to three equivalent Nd and one O atom to form a mixture of corner and edge-sharing ONd3O trigonal pyramids. Br is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms.

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36 MATERIALS SCIENCEBr-Nd-Ocrystal structureNdBrO2

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2020-07-23. Materials Data on NdBrO2 by Materials Project. https://doi.org/10.17188/1355398

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