A HIGH-RESOLUTION POWDER NEUTRON-DIFFRACTION STUDY OF THE NOVEL LAYERED OXIDE BIMO2O7OD-CENTER-DOT-2D(2)O

High resolution powder neutron diffraction data have been collected on the deuterated analog of the layered oxide BiMo2O7OH . 2H(2)O. Analys is using the Rietveld method has provided the locations of the deuteri um atoms and led to an excellent structural refinement in space group P2(1)/m with a = 6.3594(1) Angstrom, b=11.5976(1)Angstrom, c = 5.7962( 1)Angstrom, and beta = 113.434(1)degrees. The model refined to give R( wp) = 6.69%, R(I) = 7.30%, and chi(2) = 2.75 for 55 variables (47 stru ctural) and 475 reflections. The location of the deuterium atoms confi rms the prediction made in a previous synchrotron X-ray study but the details are more complex than expected. A full description of the deut erium bonding is provided.