Related papers: Structural properties of Pb3Mn7O15 determined from…
Ca2Co2O5 in the brownmillerite form was synthesized using a high-pressure optical-image floating zone furnace, and single crystals with dimensions up to 1.4x0.8x0.5 mm3 were obtained. At room temperature, Ca2Co2O5 crystallizes as a fully…
The complex metal oxide Mn3TeO6 exhibits a corundum related structure and has been prepared both in forms of single crystals by chemical transport reactions and of polycrystalline powders by a solid state reaction route. The crystal…
The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the…
We have investigated the crystal structure of LaOBiPbS3 using neutron diffraction and synchrotron X-ray diffraction. From structural refinements, we found that the two metal sites, occupied by Bi and Pb, were differently surrounded by the…
Anomalous low temperature electronic and structural behaviour has been discovered in PbRuO3. The structure (space group Pnma, a = 5.56314(1), b = 7.86468(1), c = 5.61430(1) A) and metallic conductivity at 290 K are similar to those of…
The structural phase diagram of the La1-xSrxMnO3 system in the compositional range 0.08 <= x <= 0.125 has been investigated by high-resolution synchrotron x-ray powder diffraction techniques between 20-600 K. Recent studies have reported…
Using first-principles calculations, we study theoretically the stable 2H hexagonal structure of BaMnO3. We show that from the stable high temperature P63/mmc structure, the compound should exhibit an improper ferroelectric structural phase…
A ferroelectric monoclinic phase of space group $Cm$ ($M_A$ type) has been discovered in 0.65Pb(Mg$_{1/3}$Nb$_{2/3})O_3$-0.35PbTiO$_3$ by means of high resolution synchrotron X-ray diffraction. It appears at room temperature in a single…
Starting from Cs2CuCl4 and Cs2CuBr4 our project focuses on the growth of the Cs2CuCl4-xBrx mixed crystals from aqueous solution and the investigation of the occurring structural variations. The well known orthorhombic structure (space group…
Based on the relativistic spin-polarized density functional theory calculations we investigate the crystal structure, electronic and magnetic properties of a family MnPn2Ch4 compounds, where pnictogen metal atoms (Pn) are Sb and Bi;…
We demonstrated the lattice structures and the superconducting phases of metallic double-chain based cuprate Pr2Ba4Cu7O15-delta exhibiting higher Tc. After the oxygen heat treatment on citrate pyrolysis precursors, their reduction treatment…
Although the structural phase transitions in single-crystal hybrid methyl-ammonium (MA) lead halide perovskites (MAPbX3, X = Cl, Br, I) are common phenomena, they have never been observed in the corresponding nanocrystals. Here we…
In this study we report the results of study of novel ternary $Np_2PtGa_3$ compound. The x-ray-powder diffraction analysis reveals that the compound crystallizes in the orthorhombic CeCu$_2$-type crystal structure (space group Imma) with…
The high pressure structural properties of bismuth oxide Bi2SiO5 have been investigated up to 28 GPa using in situ powder synchrotron X-ray diffraction and up to 50 GPa with DFT calculations. The monoclinic structure is found to persist up…
YCrO3 which has a monoclinic structure, shows weak ferromagnetism below 140 K (TN) and a ferroelectric transition at 473 K accompanied by hysteresis. We have determined the structure and energetics of YCrO3 with ferromagnetic and…
Unit cell parameters obtained from X-ray powder diffraction data are presented for the crystalline phase of a liquid crystal 4-butyloxyphenyl 4'-decyloxybenzoate: a = 23.098 (4) {\AA}, b = 5.974 (6) {\AA}, c = 12.357 (10) {\AA}, \b{eta} =…
Structural evolution of a prospective hydrogen storage material, ammonia borane NH3BH3, has been studied at high pressures up to 12 GPa and at low temperatures by synchrotron powder diffraction. At 293 K and above 1.1 GPa a disordered I4mm…
Ba3Yb2Zn5O11 is unique among breathing pyrochlore compounds for being in the nearly decoupled limit where inter-tetrahedron interactions are weak, hosting isolated clusters or "molecular magnet" like tetrahedra of magnetic ytterbium (Yb3+)…
We investigate the structural and magnetic phase transitions in EuTi1-xNbxO3 with synchrotron powder X-ray diffraction (XRD), resonant ultrasound spectroscopy (RUS), and magnetization measurements. Upon Nb-doping, the Pm-3m to I4/mcm…
We report the magnetic structure and properties of a thiocyanate-based honeycomb magnet [Na(OH$_2$)$_3$]Mn(NCS)$_3$ which crystallises in the unusual low-symmetry trigonal space group $P\overline{3}$. Magnetic measurements on powder samples…