Absolute configuration and optical activity of laevorotatory Bi₁₂TiO₂₀

Raman spectroscopy evidence of inhomogeneous disorder in the bismuth-oxygen framework of Bi25InO39and other sillenites

“…The comparison is difficult due to some disagreements in the literature. Several authors report the lattice parameter of Bi 12 TiO 20 around 10.188(6)Å, [44][45][46] while others report 10.175(2)Å. 47 Our result for the Ti sillenite, 10.177(2)Å, agrees with that from Valant et al 47 The discrepancies are significant because they predict different patterns in increasing ionic radii vs unit cell volume (i.e.…”

Synthesis and Characterization of a New Sillenite Compound—Bi12(B0.5P0.5)O20

“…The calculation was based on the stoichiometry Bi 12 (B 0.5 P 0.5 )O 20 , the refined unit-cell parameter a, and the fractional atomic coordinates determined for the germanium analogue. 1 Because no superstructural diffraction lines were detected in the Bi 12 (B 0.5 P 0.5 )O 20 XRD pattern, a random distribution of boron and phosphorus over the B-site was assumed. This assumption, together with the given stoichiometry, was justified by the close agreement between the observed and calculated intensities ( Table I).…”

Atomistic simulation and XAS investigation of Mn induced defects in Bi12TiO20

“…This procedure employed the software ARTEMIS [31] and the crystallographic data of ref. [26]. The fitting parameters were radial distance (R) and mean square displacement (σ 2 ), also known as Debye-Waller factor.…”

“…Figure 2 presents the Rietveld refinement of the XRD (X-ray Diffraction) pattern of Bi 12 TiO 20 doped with 0.5 mol% Mn (called BTO: Mn hereafter) crystallised at 700 °C for 6 hours. The refinement employed a pseudo-Voigt function and used the Swindells [26] crystallographic data as starting parameters. The dots represent the experimental points and the solid line the refined pattern.…”