Vg. Zubkov et al., SYNTHESIS, HIGH-RESOLUTION ELECTRON-MICROSCOPY AND CRYSTAL-STRUCTURE REFINEMENT OF THE CLUSTER COMPOUND BA3NB16O23 BY X-RAY AND NEUTRON-DIFFRACTION, Journal of alloys and compounds, 203(1-2), 1994, pp. 209-216
Ba3Nb16O23 was prepared by reducing a mixture of BaCO3 and Nb2O5 with
acetylene soot under vacuum at 1550-1600-degrees-C. The structure was
determined from high resolution electron microscopy images and was ref
ined by the Rietveld technique using X-ray and neutron powder diffract
ion data. The unit cell parameters are a = 20.9301(4) angstrom, b = 12
.4785(3) angstrom and c = 4.1619(1) angstrom, space group Cmmm, Z = 2.
The crystal structure can be described as an intergrowth of BaNbO3 an
d NbO. Characteristic building units are quadruple chains of corner-sh
aring Nb6 octahedra connected via columns with a perovskite-type struc
ture to form a three-dimensional network.