The Electronic Distribution in Diamond and the Intensities of X-ray Reflections

A theoretical calculation of the electronic charge distribution in the diamond lattice is presented. The method used is that of Thomas and Fermi and two angular terms are included to represent the departure from spherical symmetry round each carbon atom. The charge density has been used to calculate the structure factors which appear in the x-ray reflections and these calculated structure factors have been compared with recent experimental values. To some extent, both the fine details of the strong lines and the presence of the so-called `missing reflection' 222 are accounted for on the present theory.