A synchrotron X-ray study of triclinic LiCa2Nb3O10 with perovskite-type slabs

The triclinic superstructure of a small crystal of LiCa(2)Nb(3)O(10), lithium dicalcium triniobium decaoxide, has been investigated by synchrotron X-ray diffraction. The unit cell is an almost rectangular parallelepiped, although there is a 0.245 degrees offset from orthogonality for beta. The structure essentially belongs to a homologous series of Li[Na(n-3)Ca(2)Nb(n)O(3n+1)] with n = 3, where the moiety in square brackets has a perovskite-type slab structure. The superstructure has a doubled unit-cell volume with respect to the tetragonal aristotype. The NbO(6) octahedra are rotated about axes parallel to [110] by approximately 10 degrees. Adjacent slabs are connected by Li atoms and are geometrically related by 4(2) pseudosymmetry lying parallel to c. There are twice as many sites as Li atoms, providing a variation of population at these Li sites.