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 ini tio from conventional X-ray powder data by the direct method powder di ffraction package POWSIM. After three cycles of the intensity-estimati ng procedure, 18 atoms were found by the direct methods. The remaining atoms were found by difference Fourier and Rietveld methods. The numb er of atoms in the asymmetry unit was 27; the number of refined parame ters, was 78. The structure consists of polymeric chains of Mo-O polyh edra parallel to the b axis, surrounded by disordered anilinum cations . Final Rietveld refinement factors are R(F) = 6.1, R(wp) = 17.1%, spa ce group Pnma (62), a = 11.0701(7), b = 7.6131(7), c = 25,550(5) Angst rom, and Z = 4. (C) 1995 Academic Press, Inc.