The monoclinic form of trilithium dichromium(III) tris(orthophosphate)

Joobin Sun,Hoseop Yun,Pilsoo Kim

doi:10.1107/s1600536813026433

Abstract

The monoclinic form of trilithium dichromium(III) tris(orthophosphate), Li3Cr2(PO4)3, was prepared by the reactive halide flux method. The structure of the title compound is composed of a three-dimensional anionic framework with composition ∞ 3[Cr2(PO4)3]3− and Li+ ions situated in the empty channels. The rigid framework built up from CrO6 octahedra and PO4 tetrahedra is the same as that found in other monoclinic Li3 M 2(PO4)3 (M = Fe, Sc, V) phases. The three Li+ cations of Li3Cr2(PO4)3 are unequally disordered over six crystallographically different sites. The classical charge balance of the title compound can be represented as [Li+]3[Cr3+]2[P5+]3[O2−]12. Solid-state UV/Vis spectra indicate that the crystal filed splitting (Δ0) of the Cr3+ ion is around 2.22 eV.

Highlights

The monoclinic form of trilithium dichromium(III) tris(orthophosphate), Li3Cr2(PO4)3, was prepared by the reactive halide flux method
The structure of the title compound is composed of a three-dimensional anionic framework with composition and Li+ ions situated in the empty channels
Solid-state UV/Vis spectra indicate that the crystal filed splitting (0) of the Cr3+ ion is around 2.22 eV

Summary

Structure Reports

Key indicators: single-crystal X-ray study; T = 290 K; mean (P–O) = 0.002 Å; disorder in solvent or counterion; R factor = 0.026; wR factor = 0.068; data-toparameter ratio = 10.7. The monoclinic form of trilithium dichromium(III) tris(orthophosphate), Li3Cr2(PO4), was prepared by the reactive halide flux method. The structure of the title compound is composed of a three-dimensional anionic framework with composition and Li+ ions situated in the empty channels. Li3Cr2(PO4) are unequally disordered over six crystallographically different sites. The classical charge balance of the title compound can be represented as [Li+]3[Cr3+]2[P5+]3[O2]12. Solid-state UV/Vis spectra indicate that the crystal filed splitting (0) of the Cr3+ ion is around 2.22 eV

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This research was supported by the Basic Science Research

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