Journal
CRYSTAL GROWTH & DESIGN
Volume 9, Issue 7, Pages 3137-3141Publisher
AMER CHEMICAL SOC
DOI: 10.1021/cg801124z
Keywords
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Funding
- National High-tech R&D Program (863 Program) [2007AA03Z445]
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A non-centrosymmetric fluoride borate, Ba3Sr4(BO3)(3)F-5, 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 P6(3)mc (No. 186) and the following cell parameters: a = b = 10.8953(16) angstrom, c = 6.9381(15) angstrom, and Z = 2. It exhibits an intricate 3-dimensional framework of interconnecting Ba(1)O(1)(3)O(2)(4)F(2) polyhedra, Sr(1)O(2)(4)F(1)(2)F(3) polyhedra, Sr(2)O(2)(6)F(1)(3)F(3) polyhedra, and isolated BO3 triangles. The infrared spectrum indicates that the Ba3Sr4(BO3)(3)F-5 crystal contains characteristic BO33- 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 degrees C.
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