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The structure of grossularite has been refined from neutron and x-ray diffraction data. During the least-squares refinement different weighting schemes were employed. The most reliable parameters were calculated with experimental weights. The accuracy of the oxygen parameters was not sufficient to detect a difference between the position of the nucleus and the center of mass of the electron cloud. Temperature parameters calculated from low-temperature (77°K) neutron data were nearly the same as those found from room-temperature data.

Verfeinerung der Kristallstruktur des Grossulars mit Neutronen- und Röntgenstrahlbeugung