Synthesis and Characterization of Barium Hexafluoridoosmates

Abstract

Two barium hexafluoridoosmates, Ba(OsF 6 ) 2 and BaOsF 6 , were synthesized and were characterized for the first time using X-ray powder and single crystal diffraction, IR spectroscopy, as well as NMR spectroscopy in anhydrous hydrogen fluoride. Ba(OsF 6 ) 2 crystallizes in the space group type P2 1 /c with the cell parameters a = 6.4599 (4)

Identification of the Solid Electrolyte Interface on the Si/C Composite Anode with FEC as the Additive

“…−204 ppm consists of two resonances at −204 and −195 ppm. The resonance at −204 ppm is the characteristic signal of LiF, and the one at −195 ppm is temporarily assigned to hydrogen fluoride (HF) . Both of them increase with electrochemical cycling with two electrolytes; however, the amounts of LiF and HF are much higher with the FEC additive.…”

“…The resonance at −204 ppm is the characteristic signal of LiF, and the one at −195 ppm is temporarily assigned to hydrogen fluoride (HF). 30 Both of them increase with electrochemical cycling with two electrolytes; however, the amounts of LiF and HF are much higher with the FEC additive. The resonance at −72 ppm is assigned to LiPF 6 , which has an F−P split with a J-coupling constant J F−P = 710 Hz due to the direct connection between F and P atoms.…”

Discrete Mono-, Di-, and Trinuclear Anions [MoOF5]−, [MoVOF5]2–, [MoO2F4]2–, [Mo2O2F9]−, [Mo3O3F13]−, and the Infinite Chain Anion [MoO2F3]− Obtained from Reactions of MoOF4: Synthesis and Analysis of the Structure-Chemical Relations of the Compounds

“…The Ba–F distances are in the range from 2.7545(14) to 2.8826(15) Å. Several other compounds like Ba­[OsF 6 ] contain Ba atoms coordinated by 12 F atoms in the shape of a distorted cuboctahedron, with Ba–F distances in the range from 2.773(4) to 2.870(3) Å, which is in the range of the corresponding distances in Ba­[MoOF 5 ] 2 . The distances of the Ba cations to the O atoms of the nearest [MoOF 5 ] − anions are above 4.5 Å and no interaction is observed.…”

Structural principles of cation ordering and octahedral tilting in A-site ordered double perovskites: ferroelectric CaMnTi2O6 as a model system

“…28 Triple-ζ-valence + polarization level basis sets were used for Mn, Ti, La, and O, 29,30 while split-valence + polarization level basis sets were used for Ca and Ba (the Ca basis is included in the ESI †). 31 The Monkhorst-Pack type k-meshes for sampling the reciprocal space are listed in the ESI. † 32 Default DFT integration grids and optimization convergence thresholds of CRYSTAL17 were applied in all calculations.…”