Synthesis and crystal structure of barium thioborate Ba-7(BS3)(4)S
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- Synthesis and crystal structure of barium thioborate Ba-7(BS3)(4)S
- Kim, Youngsik; Martin, SW
- BORON; COORDINATION; SPECTROSCOPY; POLYCRYSTALS; GLASSES
- Issue Date
- AMER CHEMICAL SOC
- INORGANIC CHEMISTRY, v.43, no.9, pp.2773 - 2775
- he thioborate phase Ba7(BS3)4S was synthesized from solid state reaction and its crystal structure determined by single crystal X-ray diffraction analysis. It crystallizes in the monoclinic space group C2/c (No. 15) with a = 10.1750(15) A, b = 23.970(4) A, c = 10.1692(15) A, β = 90.095(2)°, and Z = 4. The structure consists of isolated trigonal planar (BS3)3- anions, and isolated S2- anions and Ba2+ cations. The additional sulfur anions have five-fold barium coordination, while the barium cations are coordinated by eight or nine sulfur atoms. Powder X-ray diffraction patterns from a bulk sample are compared to the calculated diffraction pattern from the single crystal structural analysis, and there is excellent agreement in general. The vibrational modes of the isolated (BS3)3- units were measured from Raman scattering and IR absorption spectra, and the frequencies agree very well with those found for similar orthothioborate phases.
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