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DOE OSTI · 1652869

Materials Data on Li3Pr2Sb3 by Materials Project

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Abstract

Li(PrSb)2Li2Sb is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Li(PrSb)2 cluster and one Li2Sb cluster. In the Li(PrSb)2 cluster, Li1+ is bonded in a linear geometry to two equivalent Sb3- atoms. Both Li–Sb bond lengths are 2.62 Å. Pr3+ is bonded in a single-bond geometry to one Sb3- atom. The Pr–Sb bond length is 3.06 Å. Sb3- is bonded in a distorted linear geometry to one Li1+ and one Pr3+ atom. In the Li2Sb cluster, Li1+ is bonded in a single-bond geometry to one Sb3- atom. The Li–Sb bond length is 2.74 Å. Sb3- is bonded in a linear geometry to two equivalent Li1+ atoms.

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36 MATERIALS SCIENCEcrystal structureLi-Pr-SbLi3Pr2Sb3

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2019-01-12. Materials Data on Li3Pr2Sb3 by Materials Project. https://doi.org/10.17188/1652869

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