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DOE OSTI · 1679599

Materials Data on Nd3Ta(ClO2)3 by Materials Project

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Abstract

Nd3Ta(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to six equivalent O and four equivalent Cl atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.66 Å. There are three shorter (3.01 Å) and one longer (3.07 Å) Nd–Cl bond lengths. Ta is bonded in a distorted pentagonal pyramidal geometry to six equivalent O atoms. All Ta–O bond lengths are 2.00 Å. O is bonded to three equivalent Nd and one Ta atom to form a mixture of distorted edge and corner-sharing ONd3Ta tetrahedra. Cl is bonded in a see-saw-like geometry to four equivalent Nd atoms.

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36 MATERIALS SCIENCECl-Nd-O-Tacrystal structureNd3Ta(ClO2)3

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2020-05-02. Materials Data on Nd3Ta(ClO2)3 by Materials Project. https://doi.org/10.17188/1679599

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