The Crystal Structure of LiZn2P3O10 8H2O

Abstract The crystal structure of LiZn2P3O10 8H2O has been determined from three-dimensional X-ray diffraction data collected on dicolet R3 four-circle diffractometer with CuK-radiation. In the region from 20 up to 110° 2016 independent reflections were obtained. Single crystals suitable for X-ray investigation were grown by slow evaporation from the 0.1 mol solution of the composition Li5P3O10: Zn (NO3)2=1 : 1 at 278 K. The compound belongs to the triclinic space group P1 with cell parameters: a=10.305(1), b=10.505(1), c=8.671(1) A, α=101.79(1), β=113.42(1), y=94.24(1)°, v=830.5 A3, δcalc= =2.14 g/cm3, Z=2. The structure was solved by the heavy atom method. The positions of zinc atoms in the unit cell were determined from three-dimensional Patterson function. All other non-hydrogen atoms were located by successive Fourier synthesis. After the last refinement cycles using anisotropic thermal parameters the R value converged to R=0.042 and RW =0.050. The bonding of the triphosphate group to the zinc atoms ...