title: La6Br10Fe: a La6Fe octahedron with a mixed M6X12/M6X8 type environment.
abstract: 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.
authors.affiliation: Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, Illinois 60115, USA. zheng@cz.chem.niu.edu
authors.forename: Chong
authors.initials: C
authors.lastname: Zheng
authors.forename: Hansjürgen
authors.initials: H
authors.lastname: Mattausch
authors.forename: Constantin
authors.initials: C
authors.lastname: Hoch
authors.forename: Arndt
authors.initials: A
authors.lastname: Simon