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A TiP(2)O(7) superstructure.

A room-temperature structural model of titanium pyrophosphate, TiP(2)O(7), has been determined from synchrotron X-ray data. The structure consists of TiO(6) octahedra and PO(4) tetrahedra sharing corners in a three-dimensional network. The PO(4) tetrahedra form P(2)O(7) groups connecting the TiO(6) octahedra. The 3 x 3 x 3 superstructure differs substantially from the parent AB(2)O(7) structure. The P--O--P bonding angles of the pyrophosphate group are between 141.21 (12) and 144.51 (13) degrees for those groups not located on the threefold axis. The individual TiO(6) octahedra and PO(4) tetrahedra are somewhat distorted.