Ab initiostructure determination of SrBi2OB4O9by powder X-ray/neutron diffraction and NMR spectroscopy Journal Articles uri icon

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abstract

  • SrBi2OB4O9is a novel centrosymmetric borate oxide forming in the SrO–Bi2O3–B2O3system. Its crystal structure has been determinedab initiofrom high-resolution X-ray and neutron powder diffraction data with the help of11B MAS-NMR data. SrBi2OB4O9crystallizes with a triclinic unit-cell witha=6.8657(1) Å,b=9.7976(1) Å,c=6.8148(1) Å,α=109.1270(8)°,β=101.8971(8)°,γ=96.1445(8)°,V=416.17(1) Å3,Z=2, space group P-1. Its structure consists of Bi2O4+layers alternating along thebaxis with SrB4O94−layers containing isolated B4O96−(〈2Δ〉Δ) tetraborate anions.

publication date

  • March 2009