CRYSTAL-STRUCTURE OF FIBRILLAR POTASSIUM TRIMOLYBDATE K2MO2O10 CENTER-DOT 3H(2)O BY DIRECT METHOD POWDER DIFFRACTION PACKAGE

The crystal structure of polycrystalline fibrillar potassium tri- moly bdate K2Mo3O10. 3H(2)O has been solved ab initio by a default run of t he direct method and powder diffraction program package POWSIM. The st ructure was refined by the Rietveld method with final discrepancy fact ors R(F) = 7.7 and R(wp) = 15.1%. All nonhydrogen atoms were located. The structure consists of polymeric chains of Mo-O polyhedra parallel to the c axis. The space group is Cmcm (63), a = 13.663(1) Angstrom, b = 12.050(2) Angstrom, c = 7.6337(6) Angstrom, and Z = 4. (C) 1995 Aca demic Press, Inc.