The Crystal Structure of Lizn2P3O10 8H2O

Abstract

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) Å, α=101.79(1), β=113.42(1), y=94.24(1)°, v=830.5 Å3, 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 in this structure is bidentate. Zinc atoms have three crystallographically different positions. The tetrahedral coordination two of them is completed by oxygen atoms from triphosphate groups. The third one is octohedrally coordinated by four oxygen atoms from P3O10 5- groups and by two oxygens from water molecules. The tetrahedron of lithium ion is completed by water molecules only. Bond lengths and angles within P3O10 5- group are not fundamentally different from those found in similar chain anions. Zn-0 distances range between 1.938 and 2.141 Å while Li-O distances-between 1.939 and 1.969 Å.