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.

The structure of Pb3OBO3F consists of two distortional Pb-centered tetrahedra and BO3 triangles which are all symmetrical with each other respectively in the gestalt structure to the extent that the Pb3OBO3F compound crystallizes in the symmetrical space group.Figure optionsDownload as PowerPoint slideHighlights
► Pb3OBO3F has been grown from PbO–PbF2–B2O3 system for the first time.
► It crystallizes in the orthorhombic system, space group Pbcm.
► Pb3OBO3F consists of Pb(1)O3F tetrahedra, Pb(2)O4 tetrahedra and BO3 triangles.