Sun Joobin, Kim Pilsoo, Yun Hoseop
Department of Energy Systems Research and Department of Chemistry, Ajou University, Suwon 443-749, Republic of Korea.
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 28;69(Pt 10):i72. doi: 10.1107/S1600536813026433. eCollection 2013.
The monoclinic form of trilithium dichromium(III) tris-(ortho-phosphate), 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 and Li(+) ions situated in the empty channels. The rigid framework built up from CrO6 octa-hedra and PO4 tetra-hedra 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[Cr(3+)]2[P(5+)]3[O(2-)]12. Solid-state UV/Vis spectra indicate that the crystal filed splitting (Δ0) of the Cr(3+) ion is around 2.22 eV.
通过反应性卤化物助熔剂法制备了二铬（III）三（正磷酸）二锂（Li3Cr2(PO4)3）的单斜晶型。标题化合物的结构由一个三维阴离子骨架组成，其组成为∞(3)Cr2(PO4)3，锂离子（Li(+)）位于空的通道中。由CrO6八面体和PO4四面体构成的刚性骨架与在其他单斜晶型的Li3M2(PO4)3（M = Fe、Sc、V）相中发现的骨架相同。Li3Cr2(PO4)3的三个Li(+)阳离子在六个晶体学上不同的位置上不均匀地无序分布。标题化合物的经典电荷平衡可表示为[Li(+)]3[Cr(3+)]2[P(5+)]3[O(2-)]12。固态紫外/可见光谱表明，Cr(3+)离子的晶体场分裂（Δ0）约为2.22 eV。
