A new approach to extract reliable intensities from systematical non-equivalent overlapping reflections has been proposed and tested by simulated powder diffraction pattern of known structures. By using both crystallographic and structural chemistry knowledge, the IDM-UAIC reconstructs the intensities and solves the structure through an iterative procedure. The results show that IDM-UAIC succeeds when more than 30% of the total scattering power can be located in a reasonable precise from the equivalent systematical overlapping reflections. The IDM-UAIC procedure is superior to the simple equi-partition methods for the nonequivalent systematical overlapping reflections while it is equivalent to simple equi-partition methods for the equivalent systematical overlapping reflections.
部门归属
chinese acad sci, inst phys, beijing 100080, peoples r china. chinese acad sci, ctr condensed matter phys, beijing 100080, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;liang, jk (reprint author), chinese acad sci, inst phys, pob 603, beijing 100080, peoples r china;jkliang@aphy.iphy.ac.cn
H. W. Ma,J. K. Liang. A new approach to extract reliable intensities of non-equivalent systematical overlapping reflections from powder diffraction data[J]. Acta Physica Sinica,2004,53(3):829-834.
APA
H. W. Ma,&J. K. Liang.(2004).A new approach to extract reliable intensities of non-equivalent systematical overlapping reflections from powder diffraction data.Acta Physica Sinica,53(3),829-834.
MLA
H. W. Ma,et al."A new approach to extract reliable intensities of non-equivalent systematical overlapping reflections from powder diffraction data".Acta Physica Sinica 53.3(2004):829-834.
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