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DOE OSTI · 1664889

Materials Data on Pr3Ta(ClO2)3 by Materials Project

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Abstract

Pr3Ta(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Pr+3.33+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Pr–O bond distances ranging from 2.43–2.68 Å. There are a spread of Pr–Cl bond distances ranging from 3.02–3.09 Å. Ta5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.00 Å. O2- is bonded to three equivalent Pr+3.33+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OPr3Ta tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Pr+3.33+ atoms.

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36 MATERIALS SCIENCECl-O-Pr-Tacrystal structurePr3Ta(ClO2)3

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2020-05-02. Materials Data on Pr3Ta(ClO2)3 by Materials Project. https://doi.org/10.17188/1664889

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