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2005
Structure
D 2000
30- 012
Polar [NbOCl3]2n and [Nb OX-4 ]n (X: Cl, Br) Chains in the Structures of NbOCl3
and the Thallium-Halogenooxoniobates Tl[NbOCl4] and Tl[NbOBr4] ?
Synthesis, Crystal Structure and Optical Second Harmonic Generation. ? The
structures of the title compounds (IV) are determined by single crystal XRD. (IVa) crystallizes in the orthorhombic space group Pbca with Z = 8 and (IVb) in the monoclinic
space group C2 with Z = 2. The crystal structures consist of polar [Nb OX-4 ]n (X: Cl,
Br) chains and Tl+ ions located between the chains. The individual square-pyramidal
[NbOX4]- ions are linked by asymmetric OиииNb?O bridges. The Tl+ ions are coordinated by X atoms in form of strongly distorted square antiprisms in (IVa) and in form
of cubes in (IVb). An optical second harmonic generation experiment confirms the recently performed redetermination of the structure of NbOCl3 which crystallizes acentric with analogously polar [Nb2O2Cl6]n chains. ? (BECK*, J.; BORDINHAO, J.; Z.
Anorg. Allg. Chem. 631 (2005) 6-7, 1261-1266; Inst. Anorg. Chem., Rhein.
Friedrich-Wilhelms-Univ., D-53121 Bonn, Germany; Eng.) ? Schramke
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