Abstract
The crystal structure of cornetite, Cu3(PO4)(OH)3, orthorhombic, a = 10.854(1), b = 14.053(3), c = 7.086(2), A, V = 1080.8(3) A3, Z = 8, space group Pbca, has been refined to an R-index of 3.9% for 1231 observed reflections (I > 3σI), measured with MoKα X-radiation on an automated four-circle diffractometer. The structure consists of edge sharing zig-zag chains of distorted octahedra, cross-linked by edge-sharing octahedral dimers into complex octahedral layers. Adjacent layers are corner-linked together by neighbouring octahedra and PO4 tetrahedra into a densely-packed heteropolyhedral framework, in which the phosphate tetrahedra share edges with the octahedral dimers. The polyhedral layers exhibit a commensurate modulation that results from the interaction between local relaxation of Jahn-Teller distorted octahedra and the long-range requirements of translational periodicity.
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