Insights into the Structure of Halide-Rich Hydrochloric and Hydrobromic Acid: A Structural and Quantum-Chemical Investigation of the [H6X4O2]2− (X = Cl, Br) Anions

Morphology and Study the Crystal Chemistry of a Novel Ternary Mixed Valence Bi1.52 Co2.52 Zr0.751 N0.641 O8.12 Oxide Orthorhomic Crystal Structure by Ab Initio Method via Powder XRD

“…The iteration converged with an Rfactor of 15% and the final electron density shows a P2222 symmetry with a 5% error. The program of EDMA was then used to automatically assign atomic positions [9]. Four unique heavy atomic positions were found and the heaviest one was assigned as Bi, while the others were considered as Bi/Zr/Co.…”

“…In order to avoid these problems, an alternative approach was developed for such non-light-atom structures. This approach exploits the low-order structure factor phases extracted from high resolution electron microscopy microscopy (HREM) images, to assign phases to the higher-order electron diffraction amplitudes [5][6][7][8][9]. In the most favourite case when the scattering power of the elements in the structure is not too different, the complete structure can be solved from HREM images and subsequently refined with electron diffraction data [10,11].…”

Temperature- and solvate-dependent disorder in the crystal structure of [PNP]+[HSO4]−

“…In the present context, weakly coordinating cations are a topic of current interest [11][12][13]. In the past we have investigated crystal structures of salts consisting of the [PNP] + cation and simple and small main group anions, such as halides [14,15] [17], and hypervalent fluoro silicates [18].…”