Maximum entropy versus least-squares modeling of the electron density in K2PtCl6

The thermally smeared electron density in K2PtCl6 at room temperature is determined from accurate high-resolution X-ray data with the method of maximum entropy. Results are presented in the form of difference-density maps. In an earlier study, the charge density was derived from the same data by refining the parameters of various anharmonic and/or bonding density models with the method of least squares. The density of maximum entropy agrees closely with those results of the least-squares refinements producing flat residual maps. (orig.)