CRYSTAL-STRUCTURE OF FIBRILLAR ANILINUM TRIMOLYBDATE 2(C6H5NH3)CENTER-DOT-MO3O10-CENTER-DOT-4H(2)O X-RAY-POWDER DATA

The crystal structure of (C6H5NH3) . Mo3O10 . 4H(2)O was solved ab initio from conventional X-ray powder data by the direct method powder diffraction package POWSIM. After three cycles of the intensity-estimating procedure, 18 atoms were found by the direct methods. The remaining atoms were found by difference Fourier and Rietveld methods. The number of atoms in the asymmetry unit was 27; the number of refined parameters, was 78. The structure consists of polymeric chains of Mo-O polyhedra parallel to the b axis, surrounded by disordered anilinum cations. Final Rietveld refinement factors are R(F) = 6.1, R(wp) = 17.1%, space group Pnma (62), a = 11.0701(7), b = 7.6131(7), c = 25,550(5) Angstrom, and Z = 4. (C) 1995 Academic Press, Inc.