scholarly journals SYNTHESIS AND X-RAY INVESTIGATION OF Cu2CdSn(SxSe1–x)4 SOLID SOLUTIONS

2018 ◽  
Vol 54 (2) ◽  
pp. 229-233
Author(s):  
A. U. Sheleg ◽  
V. F. Gremenok ◽  
A. S. Sereda ◽  
V. G. Hurtavy ◽  
V. A. Chumak ◽  
...  
Keyword(s):  
Crystal Lattice ◽  
Solid Solutions ◽  
Profile Analysis ◽  
Rietveld Method ◽  
Diffraction Method ◽  
Unit Cell ◽  
Continuous Series ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

The quaternary semiconductors Cu2CdSnS4, Cu2CdSnSe4 and Cu2CdSn(SxSe1–x)4 solid solutions were synthesized by the one-temperature method from the elementary components. The X-ray diffraction method showed that the obtained polycrystalline samples are single-phased. The unit cell parameters of the synthesized compounds and Cu2CdSn(SxSe1–x)4 solid solutions were determined from diffraction spectra by the full-profile analysis using the Rietveld method with the Fullprof software package. It has been established that with an increase in sulfur concentration, the unit cell parameters decrease smoothly linearly in accordance with the Vegard rule, which indicates the formation of a continuous series of solid solutions in the Cu2CdSn(SxSe1–x)4 system within the range 0 ≤ x ≤ 1. The parameter of crystal lattice tetragonal distortions h of the investigated compounds is calculated. The h values are close to 1 for all the compositions studied, which indicates a small crystal lattice distortion of the obtained samples.

Structure and properties of solid solutions in the Mg-Al-B system

Open Physics ◽  
2012 ◽  
Vol 10 (1) ◽  
Author(s):  
Ludmila Sevastyanova ◽  
Olga Gulish ◽  
Vladimir Stupnikov ◽  
Vladimir Genchel ◽  
Oleg Kravchenko ◽  
...  
Keyword(s):  
Solid Solutions ◽  
Unit Cell ◽  
Superconducting Transition ◽  
Structure And Properties ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Resistivity Measurements ◽  
Ceramic Synthesis

AbstractCompounds with the general formula Mg1−x AlxB2 were obtained by two-step ceramic synthesis. All compounds were characterized by X-ray diffraction, NMR spectroscopy, and by four point probe resistivity measurements in various magnetic fields method. The diborides unit cell parameters were determined as a function of the Al mole fraction. With the vaues of x up to 0.40 (where x is the composition of the stock prepared for sintering), the unit cell parameters of Mg1−x AlxB2 are similar to those of pure MgB2 and the superconducting transition temperature was lowered. For stock compositions of 0:25 ≤ x ≤ 0:60, the products contain a superstructure, also superconducting phase, which becomes the only product at x = 0:50, and at x > 0:60 this phase is replaced by AlB2-based solid solutions.

scholarly journals On the crystal structure of the ordered vacancy compound Cu3In5Te9

2019 ◽  
Vol 65 (4 Jul-Aug) ◽  
pp. 360 ◽  
Author(s):  
G. E. Delgado ◽  
C. Rincón ◽  
G. Marroquin
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Structural Models ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The crystal structure of the ordered vacancy compound (OVC) Cu3In5Te9 was analyzed using powder X-ray diffraction data. Several structural models were derived from the structure of the Cu-poor Cu-In-Se compound b-Cu0.39In1.2Se2 by permuting the cations in the available site positions. The refinement of the best model by the Rietveld method in the tetragonal space group P2c (Nº 112), with unit cell parameters a = 6.1852(2) Å, c = 12.3633(9) Å, V = 472.98(4) Å3, led to Rp = 7.1 %, Rwp = 8.5 %, Rexp = 6.4 %, S = 1.3 for 162 independent reflections. This model has the following Wyckoff site atomic distribution: Cu1 in 2e (0,0,0); In1 in 2f (½,½,0), In2 in 2d (0,½,¼); Cu2-In3 in 2b (½,0,¼); in 2a (0,0,¼); Te in 8n (x,y,z).

scholarly journals Rb-=SUB=-1-x-=/SUB=-Cs-=SUB=-x-=/SUB=-NO-=SUB=-3-=/SUB=- (x=0.025, 0.05, 0.1) монокристаллы и их исследование методом высокотемпературной рентгенографии

2018 ◽  
Vol 52 (6) ◽  
pp. 565
Author(s):  
А.Ф. Хазиева ◽  
В.И. Насиров ◽  
Ю.Г. Асадов ◽  
Ю.И. Алыев ◽  
С.Г. Джабаров ◽  
...  
Keyword(s):  
Melting Point ◽  
Room Temperature ◽  
Diffraction Method ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Transformation Temperatures ◽  
X Ray ◽  
Cell Parameters

AbstractPolymorphic transformations in Rb_0.975Cs_0.025NO_3, Rb_0.950Cs_0.05NO_3, and Rb_0.90Cs_0.1NO_3 crystals grown by us have been studied by the X-ray diffraction method. Four different modifications are found for crystals in the range from room temperature to the melting point. The transformation temperatures and the unit-cell parameters are determined for the crystals of these modifications.

Structure of Gd(5-x)HoxSi4 Solid Solutions

2008 ◽  
Vol 368-372 ◽  
pp. 632-634 ◽  
Author(s):  
Y.F. Zhou ◽  
Yong Mei Hao ◽  
Zhong Bo Hu
Keyword(s):  
Powder Diffraction ◽  
Solid Solutions ◽  
Systematic Study ◽  
Diffraction Method ◽  
Unit Cell ◽  
Orthorhombic Structure ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

A new systematic study of the formation and structure of solid solutions Gd (5-x)HoxSi4 (x = 1.0-5.0) has been performed. By X-ray powder diffraction method, it was found that these compounds all crystallize in orthorhombic structure with space group Pnma and the cell parameters a, b, c and the volume of unit cell are correlated with the holmium content.

Powder X-ray diffraction study of LaCo0.5Ni0.5O3−δ and LaCo0.5Fe0.5O3−δ

2003 ◽  
Vol 18 (2) ◽  
pp. 159-161 ◽  
Author(s):  
N. P. Vyshatko ◽  
V. V. Kharton ◽  
A. L. Shaula ◽  
F. M. B. Marques
Keyword(s):  
Diffraction Study ◽  
Crystal Structures ◽  
Solid Solutions ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The crystal structures of LaCo0.5Ni0.5O3−δ and LaCo0.5Fe0.5O3−δ solid solutions, studied by powder X-ray diffraction, were found to be rhombohedral perovskite. The unit cell parameters in the hexagonal setting are a=5.491(6) Å and c=13.231(3) Å for LaCo0.5Fe0.5O3−δ, and a=5.464(4) Å and c=13.125(3) Å for LaCo0.5Ni0.5O3−δ. The space group is R3c (No. 167).

Complex Impedance Analyses of Ba1-xLi0.5xBi0.5xTiO3 Solid Solution PTCR Ceramics

2015 ◽  
Vol 230 ◽  
pp. 211-216 ◽  
Author(s):  
Tatiana Plutenko ◽  
Oleg V'yunov ◽  
Dmytro Plutenko ◽  
Anatolii Belous ◽  
Darko Makovec
Keyword(s):  
Solid Solutions ◽  
Room Temperature ◽  
Complex Impedance ◽  
Diffraction Method ◽  
Unit Cell ◽  
Impedance Method ◽  
Positive Temperature ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
Ptcr Effect

Conditions for the formation of (1-x)BaTiO3–xLi0.5Bi0.5TiO3 (0 ≤ x ≤0.6) solid solutions with positive temperature coefficient of resistance (PTCR) effect were studied. Solid solutions were prepared by solid state reaction technique. Samples were sintered under reducing atmosphere N2/H2 in the temperature range 1200–1450 °C with subsequent oxidation in air. The phase composition was investigated by X-ray powder diffraction method. It was found that samples of (1-x)BaTiO3–xLi0.5Bi0.5TiO3 (0 ≤ x ≤0.6) solid solutions at room temperature exhibit perovskite structure. Unit cell parameters of unstable at the room temperature compound Li0.5Bi0.5TiO3 were determined by extrapolation of concentration dependence of the unit cell parameters in the (1-x)BaTiO3–xLi0.5Bi0.5TiO3 system. It was shown that minimum value of resistivity ρmin rises with increase in x value. Complex impedance method shown that ceramic grains of (1-x)BaTiO3–xLi0.5Bi0.5TiO3 materials consist of three areas with different electrical properties. Boundary and outerlayer region of grains make the main contribution to the PTCR effect in lithium-containing solid solutions. It was shown that magnitude of the potential barrier's decreases with increasing x.

scholarly journals Structural Variations across Wolframite Solid Solutions, (Fe,Mn)WO4

Minerals ◽  
2021 ◽  
Vol 12 (1) ◽  
pp. 42
Author(s):  
Darren A. Umbsaar ◽  
Sytle M. Antao
Keyword(s):  
Crystal Structure ◽  
Solid Solutions ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Structural Variations ◽  
Unit Cell Parameters ◽  
Rietveld Refinements ◽  
X Ray ◽  
Cell Parameters

The crystal structure of four samples from natural wolframite solid solutions, (Fe,Mn)WO4, was obtained with synchrotron high-resolution powder X-ray diffraction (HRPXRD) data, Rietveld refinements, space group P2/c, and Z = 2. Wolframite solid solutions extend from ferberite (FeWO4) to hübnerite (MnWO4). The W and (Mn,Fe) cations are in six-fold coordination. This study shows that the unit-cell parameters, a, b, c, and β angle, vary linearly with the unit-cell volume, V, across the wolframite series. The average <Mn,Fe–O> distance increases linearly because of larger Mn2+ (0.83 Å) replacing smaller Fe2+ (0.78 Å) cations, whereas the average <W–O> distance increases slightly because of the higher effective charge of the smaller Fe2+ cation. The distortions of the two types of polyhedra across the series are discussed.

scholarly journals Synthesis, spectroscopic studies and X-ray structure determination of two mononuclear copper complexes derived from the Schiff base ligand N,N-dimethyl-N'-((5-methyl-1H-imidazol-4-yl)methylene)ethane-1,2-diamine

2019 ◽  
Vol 10 (3) ◽  
pp. 201-208
Author(s):  
Pokpa Haba ◽  
Adama Sy ◽  
Farba Bouyagui Tamboura ◽  
Mamour Sarr ◽  
Ibrahima Elhadji Thiam ◽  
...  
Keyword(s):  
Schiff Base ◽  
Crystal Lattice ◽  
Structure Determination ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Reactions of the Schiff base N,N-dimethyl-N'-((5-methyl-1H-imidazol-4-yl)methylene) ethane-1,2-diamine (HL), synthesised in situ, with chloride or thiocyanate copper (II) salt; afforded two new mononuclear complexes, [Cu(HL)Cl2]·H2O (1) and [Cu(HL)(SCN)2] (2). These compounds have been studied and characterized by elemental analysis, IR and UV-Vis spectroscopies, electrochemistry, molar conductivity and room temperature magnetic measurements. Single crystal X-ray structure determination of the complexes revealed the presence of neutral moieties in the asymmetric unit. The mononuclear (1) crystallises in the monoclinic space group P21/c with the following unit cell parameters a = 7.4355(3) Å, b = 7.2952(3) Å, c = 26.2729(11) Å, β = 93.461(4)°, V = 1422.52(10) Å3, Z = 4, R1 = 0.033 and wR2 = 0.082 and the mononuclear complex (2) crystallises in the monoclinic space group C2/c with the following unit cell parameters a = 26.2578(7) Å, b = 7.4334(2) Å, c = 16.6237(5) Å, β = 99.089(3)°, V = 3203.95(16) Å3, Z = 8, R1 = 0.037 and wR2 = 0.104. In both complexes the ligand acts in tridentate fashion and the coordination environment of the copper atom can be described as distorted square pyramidal. The crystal lattice of the complex 1 is stabilized by electrostatic forces of attraction and O–H···Cl, C–H···O, N–H···Cl, and C–H···Cl, hydrogen bonding interactions while the crystal lattice of the complex 2 is stabilized by N–H···S and C–H···N.

Synthesis, characterization, and crystal structure of two zinc linear dicarboxylates

2016 ◽  
Vol 31 (3) ◽  
pp. 229-232
Author(s):  
Berenice Torruco Baca ◽  
Luis Felipe del Castillo ◽  
Paula Vera-Cruz ◽  
Rubén A. Toscano ◽  
Joelis Rodríguez-Hernández ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Rietveld Method ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Zinc Adipate

Two different crystalline structures corresponding to a zinc adipate and a zinc succinate were determined combining: X-ray powder and single-crystal diffraction, infrared spectroscopy, thermal analysis, and true densities experiments. The zinc succinate crystal structure was determined by single-crystal X-ray diffraction. This compound crystallizes in the orthorhombic space-group Cccm with unit-cell parameters a = 4.792(1) Å, b = 21.204(6) Å, c = 6.691(2) Å, V = 679.8(3) Å3, and Z = 8. Zinc adipate crystal structure was refined from the laboratory X-ray powder diffraction data by the Rietveld method. It crystallizes in the monoclinic space group P2/c with unit-cell parameters, a = 16.2037(17)Å, b = 4.7810(2)Å, c = 9.2692(6)Å, β = 90.329(3)°, V = 718.07(9) Å3, and Z = 4. The thermal expansion of it was estimated in 5.40 × 10−5 K−1. This contribution is a step on the way to systematize the regularities in the coordination diversity between linear dicarboxylates and transition metal–inorganic buildings units of metal–organic frameworks.

X-ray powder diffraction data of LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites

2021 ◽  
pp. 1-6
Author(s):  
Mariana M. V. M. Souza ◽  
Alex Maza ◽  
Pablo V. Tuza
Keyword(s):  
Crystal Structure ◽  
Rietveld Method ◽  
Pechini Method ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Modified Pechini Method ◽  
Scanning Electron

In the present work, LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites were synthesized by the modified Pechini method. These materials were characterized using X-ray fluorescence, scanning electron microscopy, and powder X-ray diffraction coupled to the Rietveld method. The crystal structure of these materials is orthorhombic, with space group Pbnm (No 62). The unit-cell parameters are a = 5.535(5) Å, b = 5.527(3) Å, c = 7.819(7) Å, V = 239.2(3) Å3, for the LaNi0.5Ti0.45Co0.05O3, a = 5.538(6) Å, b = 5.528(4) Å, c = 7.825(10) Å, V = 239.5(4) Å3, for the LaNi0.45Co0.05Ti0.5O3, and a = 5.540(2) Å, b = 5.5334(15) Å, c = 7.834(3) Å, V = 240.2(1) Å3, for the LaNi0.5Ti0.5O3.

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