Synthesis, Structural, Magnetic, and Electronic Properties of Cubic CsMnMoO₃F₃ Oxyfluoride

Abstract

A powder sample of CsMnMoO3F3 oxyfluoride has been prepared by solid state synthesis. The pyrochlore-related crystal structure of CsMnMoO3F3 has been refined by the Rietveld method at T = 298 K (space group Fd-3m, a = 10.59141(4) Å, V = 1188.123(8) Å3; R B = 3.44%). The stability of the cubic phase has been obtained over the temperature range T = 110–293 K by heat capacity measurements. Magnetic properties have been measured over the range of T = 2–300 K. The electronic structure of CsMnMoO3F3 has been evaluated by X-ray photoelectron spectroscopy. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and wide comparison with related oxides and fluorides. The competition between O2– and F– ions for metal valence electrons has been found.

Comprehensive Density Functional Theory Studies of Vibrational Spectra of Carbonates

“…Carbonate compounds are widely used in the construction industry, optics, and nanotechnology [ 9 , 10 , 11 , 12 , 13 , 14 , 15 ]. Appearance of the carbonate species due to chemical interaction with the atmosphere agents was detected at the surface of many oxide materials widely used in optical and electronic technologies [ 16 , 17 , 18 , 19 , 20 ]. In recent years, many artificial crystals of complex carbonates that have no analogues in nature were created [ 1 ].…”

Single Crystal Growth of Sillén–Aurivillius Perovskite Oxyhalides Bi4NbO8X (X = Cl, Br)

“…These functions arise from differing anionic characters such as formal charge, polarizability, and electronegativity [1][2][3]. A representative example is visible-light driven photocatalysts for water splitting, where non-oxide anions with less electronegativity leads to the reduction of band gap relative to corresponding oxides [4][5][6][7].…”

Observation of Mixed Valence Ru Components in Zn Doped Y2Ru2O7 Pyrochlores

“…1,2,3 Within this system, the family of ruthenium pyrochlores displays a multitude of interesting properties due to their high chemical and structural flexibility. 4,5,6,7,8,9,10,11,12,13 These properties include metal-insulator, long-range order and spin-singlet transitions. Moreover, a very good electrochemical behavior of Ru based pyrochlores has been observed at temperatures as low as 350 °C, which has motivated their study as intermediate temperature solid-oxide fuel cell (IT-SOFC) cathodes.…”