Search results for "tetragonal crystal"
showing 10 items of 216 documents
Synthesis, structure and magnetic properties of Mn(II) and Cu(II) complexes with the dicyano-acetic acid methyl ester anion
2001
The preparation of the sodium salt of dicyano-acetic acid methyl ester (NaCH 3 OC(O)C(CN) 2 ) (NaL) is reported. The structure of this anion is related to the structure of the dicyanamide, whose chelating capability has been used to develop 2D networks. Two new complexes of formula [M(L) 2 (H 2 O) 2 ] (M=Mn 2+ ( 1 ) and Cu 2+ ( 2 )) have been synthesized and their crystal structures determined by single-crystal X-ray diffraction. The coordination geometry of Mn atom in 1 is approximately octahedral, and the Mn atoms are μ 2 -bridged by two pairs of L − resulting in an infinite one-dimensional chain. Two types of hydrogen bonds link the chains within a 3-dimensional infinite lattice. The coo…
Crystal structure of a new polytype in the V–P–O system: is ω-VOPO4 a dynamically stabilised metastable network?
2001
Abstract ω-VOPO 4 has been prepared by thermal decomposition of different oxovanadium hydrogen phosphates, namely VO(HPO 4 ) n H 2 O ( n =2( α ), 2(β) and 4) and β-NH 4 (VO 2 )(HPO 4 ). The ω-VOPO 4 phase only remains well crystallised at relatively high temperatures. Its crystal structure has been determined ab initio from X-ray powder diffraction data collected at 475°C. The cell is tetragonal (space group P4 2 /mmc) with a =4.8552(3) A and c =8.4301(6) A. Starting positional parameters were obtained by direct methods, and the structure was refined using Rietveld profile refinement principles. Disorder of two oxygen sublattices is observed. To rationalise some features of the crystal stru…
Syntheses, Structures, and Properties of New Quaternary Gold-Chalcogenides: K2Au2Ge2S6, K2Au2Sn2Se6, and Cs2Au2SnS4
1998
The new compounds K2Au2Ge2S6 (1), K2Au2Sn2Se6 (2), and Cs2Au2SnS4 (3) have been synthesized through direct reaction of the elements with a molten polyalkalithiogermanate(stannate) flux at 650, 550, and 400 °C, respectively. Their crystal structures have been determined by single crystal X-ray diffraction techniques. 1 crystallizes in the monoclinic space group P21/n with a = 10.633(2) A, b = 11.127(2) A, c = 11.303(2) A, β = 115,37(3)°, V = 1208,2(3) A3 and Z = 4, final R(Rw) = 0.045(0.106). 2 crystallizes in the tetragonal space group P4/mcc with a = 8.251(1) A, c = 19.961(4) A, V = 1358,9(4) A3 and Z = 4, final R(Rw) = 0.040(0.076). 3 crystallizes in the orthorhombic space group Fddd with…
Über Germanium‐haltige Heterocyclen, IV. 2,2,4,4,6,6‐Hexaphenyl‐1,3,5‐trioxa‐2,4,6‐trigermacyclohexan, (Ph 2 GeO) 3 , eine monoplanare Zwischenstufe …
1982
Die Titelverbindung 1 wurde durch Hydrolyse von Ph2GeCl2 in acetonischer Losung gewonnen. Die Kristallstruktur wurde bestimmt und bis R = 0.049 verfeinert. Die Konformation des Ge3O3-6-Ringes ist monoplanar und bildet eine mogliche Zwischenstufe einerseits fur die Racemisierung von Twist-Wanne-Enantiomeren und andererseits bei der Sessel-Sessel-Inversion. Ein angeregter Zustand mit umlaufendem Null-Torsionswinkel wird als Alternative zur gangigen Lehrbuchdarstellung dieser Vorgange diskutiert. Die GeOAbstande und GeOGe-Winkel betragen 176–178 pm bzw. 128–130°. Die 1-Molekule sind im Kristall nach Art einer tetragonal-innenzentrierten Kugelpackung mit (10 + 4)-Koordination gepackt. On Hetero…
Molekül- und kristallstruktur von hexamethylcyclo-tristannaselenan [(CH3)2SnSe]3
1978
Hexamethylcyclotristannaselenane [(CH3)2SnSe]3 forms tetragonal crystals, space groups P41212, with a 986.5(2), c 1769.7(4) pm, Z 4. The complete X-ray structural analysis (two independent determinations) shows the six-membered ring to have a twist-boat conformation similar to [(CH3)2SnS]3. The SnSe2C2 tetrahedra are only slightly distorted, the mean bond distances being SnSe 253.1 (251.7⋯254.0(4)) pm, Sn C 2.13 (2.09⋯2.17(3)) pm. Conformational details are discussed.
Modulated Crystal Structure and Electronic Properties of Semiconductor Cu47Si91P144
2000
Crystals of the copper silicon phosphide were synthesized by the iodine gas transport technique. The x-ray single crystal methods revealed a big superstructure with the lattice parameters a = b = 44.510 and c = 20.772 A and a basic tetragonal substructure with a = 3.7092 and c = 5.1930 A. Analysis of the intensities showed that the superstructure has a 1/2,1/2,1/2 tetragonal substructure with a = 22.255 and c = 10.386 A. This 1/2,1/2,1/2 substructure (Cu47Si91P144) and the basic tetragonal structure (Cu0.71Si1.29P2) were solved by the direct methods and refined in the I4m2 space group. The phosphide is a semiconductor with a small energy gap of 0.0269(1) eV. The electrical properties are co…
A T‐Shaped μ 3 ‐Oxido Trinuclear Iron Cluster with High Easy‐Plane Anisotropy: Structural and Magnetic Characterization
2008
The synthesis, crystal structure and magnetochemical characterization of a new μ-oxido trinuclear iron cluster (oldnomenclature: μ-oxo trinuclear iron cluster), [Fe3(μ3-O)(μ2-CH3O)2(μ2-CH3COO)2(phen)2Cl3], is reported. The reaction of hydrated FeCl3 with sodium acetate and 1,10-phenanthroline in a mixture of methanol and acetonitrile afforded crystals suitable for X-ray crystallographic determination. The new compound crystallizes in the tetragonal I41/a space group (a = b = 13.6322 A, c = 37.3538 A, Z = 8, V = 6941.7 A3). The core of the complex is an isosceles triangle bridged by a μ3-O ion with a rare T-shaped geometry. The chloride ions are bound terminally, and the phenanthroline ligan…
Mo-containing tetragonal tungsten bronzes. The influence of tellurium on catalytic behaviour in selective oxidation of propene
2009
Abstract Te-free and Te-containing multicomponent Mo-based catalysts presenting tetragonal tungsten bronze (TTB) structure have been prepared, characterized and tested for the selective oxidation of propene. The catalysts were prepared hydrothermally and heat treated at 700 °C. The structural characterization performed by means of XRD, FTIR, SAED and HRTEM confirms the incorporation of tellurium to the TTB structural framework and shows that its presence does not modify in essence the crystalline structure. However, the incorporation of Te strongly modifies the catalytic performance, and the highest yield to acrolein has been achieved on catalysts with Te/Mo atomic ratios in bulk of 0.03. T…
Theory of spontaneous polarization and birefringence in the tetragonal phase of KNbO3
1995
Abstract The microscopic mechanism of optical anisotropy in the tetragonal phase of KNbO3 is discussed taking account of the dipole-dipole effect due to the ionic and electronic polarizations of the crystal and the spontaneous Kerr effect. The last effect is a cause of the strong local field acting on the constituent ions. For the spontaneous polarization we use only the first effect. It is found that the birefringence and the spontaneous polarization are in good agreement with the experimental data.
Doped zirconia phase and luminescence dependence on the nature of charge compensation
2017
Financial support provided by the Scientific Research Project for Students and Young Researchers Nr. SJZ2015/25 carried out at the Institute of Solid State Physics of the University of Latvia is greatly acknowledged.