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Synthesis and Characterization of the First Tin Fluoride Borate Sn 3 [B 3 O 7 ]F with Second Harmonic Generation Response
Author(s) -
Schönegger Sandra,
Jantz Stephan G.,
Saxer Andreas,
Bayarjargal Lkhamsuren,
Winkler Björn,
Pielnhofer Florian,
Höppe Henning A.,
Huppertz Hubert
Publication year - 2018
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201803478
Subject(s) - orthorhombic crystal system , octahedron , crystallography , boron , tin , materials science , crystal structure , second harmonic generation , fluoride , thermogravimetry , analytical chemistry (journal) , chemistry , inorganic chemistry , optics , physics , metallurgy , laser , organic chemistry , chromatography
The new non‐centrosymmetric tin fluoride borate Sn 3 [B 3 O 7 ]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 Pna 2 1 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 B 3 O 7 moieties, consisting of two corner‐sharing BO 3 units and one BO 4 tetrahedron. These occupy half of the octahedral voids of a slightly distorted hexagonal closest packing of Sn 2+ atoms, with [SnF] + units in the other half of the octahedral voids. Sn 3 [B 3 O 7 ]F is transparent over a wide spectral range with a UV cut‐off edge at about 263 nm.