A TiP2O7 superstructure

Journal article, 2001

A room-temperature structural model of titanium pyrophosphate, TiP2O7, has been determined from synchrotron X-ray data. The structure consists of TiO6 octahedra and PO4 tetrahedra sharing corners in a three-dimensional network. The PO4 tetrahedra form P2O7 groups connecting the TiO6 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 TiO6 octahedra and PO4 tetrahedra are somewhat distorted.