Items for "Ab initio structure analysis"

Ab initio crystal structure determination of Bi₆Rh₁₂O₂₉ from powder diffraction data

The complex crystal structure of Bi₆Rh₁₂O₂₉ was determined from laboratory X-ray powder diffraction data with the software package TOPAS® [1]...

Keywords: Simulated annealing, Todorokite-related structure, Ab initio structure analysis, X-ray powder diffraction, Bismuth rhodium oxide