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Single crystals of Bi 1.9 Cu 4 V 4 O 16  have been prepared by quenching of CO 2 -LASER heated samples. They were investigated by X-ray techniques. The compound crystallizes with tetragonal symmetry, space group C 5  4h -I4 /m , a = 9.945(2) Å , c = 2.915(3) Å, Z = 1, and is isotypic to the mineral Hollandite. Bi 1.9 Cu 4 V 4 O 16  is the first Hollandite with a statistical distribution of vanadium and copper in the network of octahedra. Calculations of the Coulomb terms of lattice energy led to a distance of bismuth to the lone pair of 1.07 Å. Considering the lone pair as part of the coordination sphere of Bi 3+  a square pyramidal polyhedron is obtained.

zeitschrift für naturforschung b

Kristallstrukturuntersuchung an einem bismuthaltigen Hollandit: Bi 1.9 CU 4 V 4 O 16  / Crystal Structure Investigation of the Bismuth Containing Hollandite: Bi 1.9 Cu 4 V 4 O 16