Crystal Growth, Structure, and Properties of a Non-Centrosymmetric Fluoride Borate, Ba₃Sr₄(BO₃)₃F₅

Abstract

A non-centrosymmetric fluoride borate, Ba3Sr4(BO3)3F5, has been synthesized by solid state reaction techniques, and a single crystal was grown by the top-seeded solution growth method using NaF as flux. Single-crystal X-ray diffraction analysis shows the structure to be hexagonal with space group P63 mc (No. 186) and the following cell parameters: a = b = 10.8953(16) Å, c = 6.9381(15) Å, and Z = 2. It exhibits an intricate 3-dimensional framework of interconnecting Ba(1)O(1)3O(2)4F(2) polyhedra, Sr(1)O(2)4F(1)2F(3) polyhedra, Sr(2)O(2)6F(1)3F(3) polyhedra, and isolated BO3 triangles. The infrared spectrum indicates that the Ba3Sr4(BO3)3F5 crystal contains characteristic BO3 3− groups as its basic structural units, which is consistent with the crystallographic study. The transparency spectrum shows that the as-grown crystal is transparent in the wavelength range of 270 to 2550 nm, the highest transmittance exceeds 85%, and the UV cutoff wavelength is about 210 nm.The thermal analysis shows that it is chemically stable and melts congruently at 1174.3 °C.

A congruently melting and deep UV nonlinear optical material: Li3Cs2B5O10

“…In the past decades much research interest has been focused on the synthesis and characterization of inorganic compounds for the exploration of nonlinear optical (NLO) materials. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17] Great efforts have been directed to new ultraviolet (UV) NLO materials because high-quality all-solid-state UV laser sources play an important role in many advanced technology areas such as ultraviolet lithography and high-resolution photoelectron spectroscopy. 18 The high-performance crystals b-BaB 2 O 4 (BBO), 9a LiB 3 O 5 (LBO), 10a CsB 3 O 5 (CBO) 11a and CsLiB 6 O 10 (CLBO) 12a have extended frequency conversion from the visible to near-UV spectral regions and brought attention to borates for new NLO materials, especially for deep UV NLO materials.…”

Synthesis, crystal structure and optical properties of a new lead fluoride borate with isolated [B9O21]15− unit

“…To date, inorganic borates have long been a focus of research due to their interesting nonlinear optical, transparency to a wide range of wavelengths, high laser damage tolerance, piezoelectric, luminescent and other useful properties for technical applications. Studies of metal borates have produced a large family of compounds with outstanding physical properties, for example, β-BaB 2 O 4 [4], LiB 3 O 5 [5], CsB 3 O 5 [6], Sr 2 Be 2 B 2 O 7 [9] and Ba 3 Sr 4 (BO 3 ) 3 F 5 [12] are all wellknown nonlinear optical (NLO) crystals [4][5][6][7][8][9][10][11][12]. These achievements inspirit us to explore new borates.…”

Crystal structure of the solid solution Ba8.35Pb0.65(B3O6)6

“…The study of inorganic borates is motivated by their possible non-linear optical properties, transparency in a wide range of wavelengths, high laser-damage tolerance, piezoelectricity and luminescent and other useful properties for technical applications of the respective compounds. For example, -BaB 2 O 4 (Chen et al, 1985), LiB 3 O 5 (Chen et al, 1989), CsB 3 O 5 (Sasaki et al, 2000), Sr 2 Be 2 B 2 O 7 (Chen et al, 1995), K 5 Ba 10 (BO 3 ) 8 F (Liu et al, 2016), PbB 4 O 7 (Bartwal et al, 2001), Pb 2 B 5 O 9 X (X = Cl, Br, I) (Huang et al, 2010) or Ba 3 Sr 4 (BO 3 ) 3 F 5 (Zhang et al, 2009) have been studied because of their second-order ISSN 2056-9890…”