Synthesis, Crystal Structure and Characterization of Cu2 (PO4) (OH)

Abstract

This paper reports the hydrothermal synthesis and crystal structure refinement of cuivre phosphate hydroxide,  Cu ₂ (PO₄) (OH), obtained at 453 K.

Its structure consists of chains of edge-sharing, distorted [CuO₄ (OH)₂] octahedral extending parallel to [001]. These chains are cross linked by isolated PO₄ tetrahedra through corner-sharing, forming channels in which dimmers of edge-sharing [CuO₄ (OH)] trigonal bipyramids are located. The structure is stabilized by medium to weak O-H…O hydrogen bonds. In contrast to the previous refinement single crystal X-ray and analysis of data from vibrational spectroscopy, all non –H atoms were refined with anisotropic displacement parameters and the H atom was located.