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Abstract:
The crystal structure of a copper antimonite (CuSb2O4) was determined
from X-ray powder diffraction data. The structure was solved by
simulated annealing in direct space using the Rietveld method. The
compound crystallizes in tetragonal symmetry and space group P4 (2) bc
(106); unit cell parameters a = b = 8.76033(5) , c = 5.79786(4) , Z = 4,
V = 444.947(5) (3) and density (calc.) = 5.539 g cm(-3). The CuO6
polyhedra are strongly elongated due to Jahn-Teller distortion in a
[2+2+2] coordination arrangement, i.e. there are two long axial Cu-O1
bonds of 2.447(13) and in the equatorial plane there are two
intermediate Cu-O2 bonds of 2.07(3) and two short Cu-O2 bonds of 1.88(2)
. The SbO3 pyramidal arrangement is almost regular with Sb-O1 bonds of
1.97(2) (2x) and Sb-O2 of 1.959(5) . The experimentally obtained Raman
spectrum is consistent with values obtained from theoretical modelling
studies. The magnetic behaviour of this new compound suggests that it
belongs to the class of S = 1/2 Heisenberg chain systems.
