A New 2+/3+ Perovskite: The Synthesis and Structure of BaScO2F

Synthesis and structure of the new oxide fluoride Sr2TiO3F2 from the low temperature fluorination of Sr2TiO4: an example of a staged fluorine substitution/insertion reaction

“…High temperature synthesis and structural studies of a range of materials, e.g. BaScO 2 F, have been reported by Needs et al [1][2][3][4] The number of oxide fluorides that can be prepared by the high temperature route is however limited by the high stability of the simple fluoride starting materials relative to the intended products. Other routes have therefore been attempted to overcome this problem, i.e.…”

Syntheses, powder neutron diffraction structures and Mössbauer studies of some complex iron oxyfluorides: Sr3Fe2O6F0.87, Sr2FeO3F and Ba2InFeO5F0.68

“…10 There are only a limited number of reports of oxy¯uorides with perovskite and Ruddlesden±Popper type structures. The known examples of perovskite oxy¯uorides are BaScO 2 F, 11 ANbO 2 F (A~Na, K and Rb), 12 KTiO 2 F 13 and Tl 2 O 2 F (which contains Tl z and Tl 3z on the A and B sites respectively). 14 The latter two phases only form at very high pressure.…”

Local environment rigidity and the evolution of optical properties in the green-emitting phosphor Ba1−xSrxScO2F:Eu2+

“…221). 34 The powder X-ray diffractograms also reveal minor impurities of BaF 2 and Sc 2 O 3 , marked with a red asterisk and a black dot, respectively. The incremental incorporation of Sr 2+ in the host perovskite crystal structure is confirmed through the gradual shift of the diffraction peaks to larger angles (yellow dashed line, Fig.…”

“…35 The anion disorder has been previously confirmed through 19 F-MAS NMR where a single 19 F signal was observed, indicating a single fluoride site. 39 3.2 The effect of Sr 2+ substitution on the electronic structure Density functional theory (DFT) calculations were performed to investigate the structural and electronic changes arising from the gradual substitution of Sr 2+ in the perovskite crystal structure. To enumerate all possible O/F configurations, all irreducible representations of the Pm% 3m space group that satisfy the Lifshitz criterion were considered.…”