Synthesis, crystal structure and properties of a new lead fluoride borate, Pb3OBO3F

A new compound, Pb3OBO3F, has been grown by the high temperature solution method from the PbO–PbF2–B2O3 system. It crystallizes in the orthorhombic system, space group Pbcm with unit-cell parameters a = 7.6313(14) Å, b = 6.5229(12) Å, c = 11.906(2) Å, Z = 4, volume = 592.66(19) Å3. The structure of the compound is solved by the direct methods and refined to R1 = 0.0528 and wR2 = 0.1400. Pb3OBO3F consists of Pb(1)O3F tetrahedra, Pb(2)O4 tetrahedra and BO3 triangles which build up the symmetrical chains extended along the c-axis. The powder X-ray diffraction pattern of the Pb3OBO3F has been measured. Functional groups presented in the sample were identified by Fourier transform infrared spectrum.