Zheng Chong, Mattausch Hansjürgen, Hoch Constantin, Simon Arndt
Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, Illinois 60115, USA.
Inorg Chem. 2008 Apr 7;47(7):2356-61. doi: 10.1021/ic701229q. Epub 2008 Mar 5.
The title compound was synthesized from La, LaBr3, and Fe under Ar atmosphere at 800 degrees C. It crystallizes in space group P4(1) (No. 76) with lattice constants a = 8.255(1) A and c = 30.033(6) A. The structure features an isolated Fe-centered La 6 octahedron with all corners, 9 of its 12 edges, and 3 of its 8 triangular faces coordinated, bridged, or capped by Br atoms. The La6Fe octahedron is significantly distorted, and the La coordination by Br atoms deviates from the common close-packing arrangements found in other reduced rare earth metal halides. Band structure, bonding, and physical properties of the compound have been investigated.
标题化合物是在氩气气氛下，于800℃由镧、溴化镧和铁合成的。它属于空间群P4(1)（编号76），晶格常数a = 8.255(1) Å，c = 30.033(6) Å。其结构特点是有一个以铁为中心的孤立的La₆八面体，所有顶点、12条棱中的9条以及8个三角形面中的3个被溴原子配位、桥连或覆盖。La₆Fe八面体明显畸变，且溴原子对镧的配位偏离了在其他低价稀土金属卤化物中常见的密堆积排列。已对该化合物的能带结构、键合和物理性质进行了研究。
