Electron density and electrostatic potential of KNiF3: multipole, orbital and topological analyses of vacuum-camera-imaging plate and four-circle diffractometer data

The electron density and electrostatic potential of KNiF3, nickel potassium trifluoride, were studied using multipole and orbital model treatment of t he precision X-ray diffraction data measured by vacuum-camera-imaging plate and four-circle diffractometer methods. Different experimental methods lea d to similar multipole and atomic displacement parameters and to qualitativ ely the same electron densities. Good agreement was also achieved for the L aplacians of the electron density and the electrostatic potentials. Some pi tfalls of the vacuum-camera-imaging plate method that could be improved are discussed.