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DOE OSTI · 1666435

Materials Data on Nd3W(ClO2)3 by Materials Project

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Abstract

Nd3W(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nd3+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.65 Å. There are one shorter (2.95 Å) and three longer (3.04 Å) Nd–Cl bond lengths. W6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All W–O bond lengths are 1.97 Å. O2- is bonded to three equivalent Nd3+ and one W6+ atom to form a mixture of distorted corner and edge-sharing ONd3W tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Nd3+ atoms.

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36 MATERIALS SCIENCECl-Nd-O-Wcrystal structureNd3W(ClO2)3

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2020-07-14. Materials Data on Nd3W(ClO2)3 by Materials Project. https://doi.org/10.17188/1666435

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