The crystal structure of phlogopite by neutron diffraction

The positions of all the atoms including hydrogen have been found by a partial threedimensional single-crystal neutron-diffraction study in which about one-third of the reflections in the reciprocal sphere to I'5/~ were measured. The hydroxyl group is perpendicular to the plane of the silicate sheets. The fluorine content of this phlogopite is enough to occupy 25 % of the (OH, F) sites. Site occupancy refinement suggests that there is a small deficiency of hydrogen at the remaining sites and that the two crystallographically different octahedral sites are fully occupied by the same proportions of Mg, Ti, Fe, and Ca.