Synthesis and Characterization of the First Tin Fluoride Borate Sn₃ [B₃ O₇ ]F with Second Harmonic Generation Response.

ABSTRACT: The new non-centrosymmetric tin fluoride borate Sn₃ [B₃ O₇ ]F was synthesized hydrothermally, and was characterized by single-crystal and powder X-ray diffraction, vibrational spectroscopy, DFT calculations, second harmonic generation (SHG) measurements, thermogravimetry, and differential scanning calorimetry. Its SHG response is about 12 times that of quartz. The compound crystallizes in the non-centrosymmetric orthorhombic space group Pna2₁ with lattice parameters a=922.4(2), b=769.8(4), and c=1221.9(6)?pm (Z=4). Characteristic for the structure are isolated B₃ O₇ moieties, consisting of two corner-sharing BO₃ units and one BO₄ tetrahedron. These occupy half of the octahedral voids of a slightly distorted hexagonal closest packing of Sn²⁺ atoms, with [SnF]⁺ units in the other half of the octahedral voids. Sn₃ [B₃ O₇ ]F is transparent over a wide spectral range with a UV cut-off edge at about 263?nm.

SUBMITTER: Schonegger S 

PROVIDER: S-EPMC6221176 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature