X-ray study of CuGa x In1−x Se2 solid solutions

1989 ◽  
Vol 22 (6) ◽  
pp. 578-583 ◽  
Author(s):  
D. K. Suri ◽  
K. C. Nagpal ◽  
G. K. Chadha
Keyword(s):  
Solid Solution ◽  
Binary System ◽  
Crystallite Size ◽  
Solid Solutions ◽  
Lattice Parameters ◽  
Chalcopyrite Structure ◽  
Space Group ◽  
X Ray ◽  
Structure Space ◽  
A Value

The semiconducting compound CuGa x In1 − x Se2 crystallizes in the chalcopyrite structure (space group I{\bar 4}2d, Z = 4). The X-ray powder data for x = 1, 0.75, 0.6, 0.5, 0.4, 0.25 and 0.0 have been collected and it is found that the lattice parameters a and c and their ratio c/a vary linearly with x. Thus the composition of any chalcopyrite in the pseudo-binary system CuGaSe2 and CuInSe2 can be obtained from the accurate lattice parameters. The crystallite size determined from the (112) plane is minimum for x = 0.50 (~ 1000 Å) and away from x = 0.50 it increases. A value of u = 0.240 (5) has been established for fixing the Se-atom positions in the CuGa0.5In0.5Se2 solid solution. The JCPDS Diffraction File No. for CuInSe2 is 40-1487 and for CuGa0.5In0.5Se2 is 40-1488.

Superstructure formation in the solid solution Sc3Pt3−xIn3 (x = 0–0.93)

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Nataliya L. Gulay ◽  
Rolf-Dieter Hoffmann ◽  
Jutta Kösters ◽  
Yaroslav M. Kalychak ◽  
Stefan Seidel ◽  
...  
Keyword(s):  
Solid Solution ◽  
Diffraction Data ◽  
High Frequency ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Platinum Content ◽  
Arc Melting ◽  
Modulation Vector

Abstract The equiatomic indide ScPtIn (ZrNiAl type, space group P 6 ‾ $‾{6}$ 2m) shows an extended solid solution Sc3Pt3–xIn3. Several samples of the Sc3Pt3–xIn3 series were synthesized from the elements by arc-melting and subsequent annealing, or directly in a high frequency furnace. The lowest platinum content was observed for Sc3Pt2.072(3)In3. All samples were characterized by powder X-ray diffraction and their lattice parameters and several single crystals were studied on the basis of precise single crystal X-ray diffractometer data. The correct platinum occupancy parameters were refined from the diffraction data. Decreasing platinum content leads to decreasing a and c lattice parameters. Satellite reflections were observed for the Sc3Pt3–xIn3 crystals with x = 0.31–0.83. These satellite reflections could be described with a modulation vector ( 1 3 , 1 3 , γ ) $\left(\frac{1}{3},\frac{1}{3},\gamma \right)$ ( γ = 1 2 $\gamma =\frac{1}{2}$ c* for all crystals) and are compatible with trigonal symmetry. The interplay of platinum filled vs. empty In6 trigonal prisms is discussed for an approximant structure with space group P3m1.

The solid solution TbNiIn1−x Ga x

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Myroslava Horiacha ◽  
Galyna Nychyporuk ◽  
Rainer Pöttgen ◽  
Vasyl Zaremba
Keyword(s):  
Solid Solution ◽  
Unit Cell ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Structure Space ◽  
Arc Melting

Abstract Phase formation in the solid solution TbNiIn1−x Ga x at 873 K was investigated in the full concentration range by means of powder X-ray diffraction and EDX analysis. The samples were synthesized by arc-melting of the pure metals with subsequent annealing at 873 K for one month. The influence of the substitution of indium by gallium on the type of structure and solubility was studied. The solubility ranges have been determined and changes of the unit cell parameters were calculated on the basis of powder X-ray diffraction data: TbNiIn1–0.4Ga0–0.6 (ZrNiAl-type structure, space group P 6 ‾ 2 m $P‾{6}2m$ , a = 0.74461(8)–0.72711(17) and c = 0.37976(5)–0.37469(8) nm); TbNiIn0.2–0Ga0.8–1.0 (TiNiSi-type structure, space group Pnma, а = 0.68950(11)–0.68830(12), b = 0.43053(9)–0.42974(6), с = 0.74186(10)–0.73486(13) nm). The crystal structures of TbNiGa (TiNiSi type, Pnma, a = 0.69140(5), b = 0.43047(7), c = 0.73553(8) nm, wR2=0.0414, 525 F 2 values, 21 variables), TbNiIn0.83(1)Ga0.17(1) (ZrNiAl type, P 6 ‾ 2 m $P‾{6}2m$ , a = 0.74043(6), c = 0.37789(3) nm, wR2 = 0.0293, 322 F 2 values, 16 variables) and TbNiIn0.12(2)Ga0.88(2) (TiNiSi type, Pnma, a = 0.69124(6), b = 0.43134(9), c = 0.74232(11) nm, wR2 = 0.0495, 516 F 2 values, 21 variables) have been determined. The characteristics of the solid solutions and the variations of the unit cell parameters are briefly discussed.

The lattice parameters and interplanar spacings of some artificially prepared melilites

1948 ◽  
Vol 28 (202) ◽  
pp. 374-379 ◽  
Author(s):  
K. W. Andrews
Keyword(s):  
Crystal Structure ◽  
Blast Furnace ◽  
Binary System ◽  
Laboratory Investigation ◽  
Solid Solutions ◽  
Lattice Parameters ◽  
Refractive Indices ◽  
X Ray ◽  
Tetragonal Lattice ◽  
Intermediate Series

A laboratory investigation in connexion with some blast-furnace slags, led to the preparation of the five synthetic melilites for which X-ray data are provided. The five compounds represent gehlenite, åkermanite and three members of the intermediate series of solid solutions, corresponding to 25, 50, and 75 % of åkermanite.The binary system gehlenite–åkermanite was studied by Ferguson and Buddington, who established relationships between refractive indices, density, and composition and determined solidus and liquidus curves. The crystal structure of the melilite group of compounds was investigated by Warren, who showed that the structure was based on a tetragonal lattice.

Structure of melt-quenched AgIn3Te5

2011 ◽  
Vol 26 (3) ◽  
pp. 248-255 ◽  
Author(s):  
C. Rangasami ◽  
P. Malar ◽  
T. Osipowicz ◽  
Mahaveer K. Jain ◽  
S. Kasiviswanathan
Keyword(s):  
Electron Diffraction ◽  
Structure Refinement ◽  
Chalcopyrite Structure ◽  
Pixe Analysis ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Structure Space ◽  
Selected Area Electron Diffraction ◽  
P Type

Polycrystalline AgIn3Te5 synthesized by melt-quench technique has been analyzed using proton induced X-ray emission (PIXE), X-ray diffraction (XRD), and selected area electron diffraction. PIXE analysis yielded the content of Ag, In, and Te, respectively, to be 9.76%, 31.18%, and 59.05% by weight. Structure refinement was carried out considering those space groups from I- and P-type tetragonal systems which possess 4 symmetry and preserve the anion sublattice arrangement of the chalcopyrite structure (space group: I42d) as well. The results showed that AgIn3Te5 synthesized by melt-quench method crystallizes with P-type tetragonal structure (space group: P42c; unit-cell parameters a = 6.2443(8) and c = 12.5058(4) Å), the presence of which was corroborated by selected area electron diffraction studies.

Gold-Tin Ordering in SrAu2Sn2

2014 ◽  
Vol 69 (7) ◽  
pp. 767-774 ◽  
Author(s):  
Christian Schwickert ◽  
Birgit Gerke ◽  
Rainer Pöttgen
Keyword(s):  
Single Crystal ◽  
Coordination Number ◽  
Solid Solutions ◽  
High Frequency ◽  
Spectroscopic Data ◽  
Type Structure ◽  
Temperature Dependent ◽  
Space Group ◽  
X Ray ◽  
Structure Space

Samples of the solid solutions SrAuxSn4−x (1:7 ≤ x ≤ 2:2) were obtained by high-frequency melting of the elements in sealed niobium ampoules. Powder and single-crystal X-ray data confirmed the CaBe2Ge2-type structure, space group P4/nmm. The structures of SrAu1.76Sn2.24, SrAu2Sn2, SrAu2.16Sn1.84 (crystal A), SrAu2.16Sn1.84 (crystal B), and SrAu2.22Sn1.78 were refined from singlecrystal diffractometer data. Only the SrAu2Sn2 crystal shows complete Au-Sn ordering while all other crystals show substantial mixed occupancies on the four crystallographically independent sites of the polyanionic networks in which the strontium atoms fill cages of coordination number 16. Temperature-dependent susceptibility measurements have revealed diamagnetism for SrAu2Sn2. 119Sn Mössbauer spectroscopic data of a bulk SrAu2Sn2 sample have resolved the tetrahedral and square-pyramidal tin sites but point to substantial Au-Sn disorder.

Single-crystal investigation of Ce5AgxGe4−x (x = 0.1−1.08) with Sm5Ge4 type

2020 ◽  
Vol 75 (8) ◽  
pp. 765-768
Author(s):  
Bohdana Belan ◽  
Dorota Kowalska ◽  
Mariya Dzevenko ◽  
Mykola Manyako ◽  
Roman Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Binary Compound ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

AbstractThe crystal structure of the phase Ce5AgxGe4−x (x = 0.1−1.08) has been determined using single-crystal X-ray diffraction data for Ce5Ag0.1Ge3.9. This phase is isotypic with Sm5Ge4: space group Pnma (No. 62), Pearson code oP36, Z = 4, a = 7.9632(2), b = 15.2693(5), c = 8.0803(2) Å; R1 = 0.0261, wR2 = 0.0460, 1428 F2 values and 48 variables. The two crystallographic positions 8d and 4c show Ge/Ag mixing, leading to a slight increase in the lattice parameters as compared to those of the pure binary compound Ce5Ge4.

scholarly journals Synthesis of Ce1−xPdxO2−δ Solid Solution in Molten Nitrate

Catalysts ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 640
Author(s):  
Hideaki Sasaki ◽  
Keisuke Sakamoto ◽  
Masami Mori ◽  
Tatsuaki Sakamoto
Keyword(s):  
Electron Microscopy ◽  
Solid Solution ◽  
Solid Solutions ◽  
Photoelectron Spectroscopy ◽  
Synthesis Method ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transmission Electron ◽  
Co Precipitation ◽  
Ionic States

CeO2-based solid solutions in which Pd partially substitutes for Ce attract considerable attention, owing to their high catalytic performances. In this study, the solid solution (Ce1−xPdxO2−δ) with a high Pd content (x ~ 0.2) was synthesized through co-precipitation under oxidative conditions using molten nitrate, and its structure and thermal decomposition were examined. The characteristics of the solid solution, such as the change in a lattice constant, inhibition of sintering, and ionic states, were examined using X-ray diffraction (XRD), scanning electron microscopy–energy-dispersive X-ray spectroscopy (SEM−EDS), transmission electron microscopy (TEM)−EDS, and X-ray photoelectron spectroscopy (XPS). The synthesis method proposed in this study appears suitable for the easy preparation of CeO2 solid solutions with a high Pd content.

scholarly journals β-Y(BO2)3 – a new member of the β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu) structure family

2017 ◽  
Vol 72 (12) ◽  
pp. 983-988 ◽  
Author(s):  
Martin K. Schmitt ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstractβ-Y(BO2)3 was synthesized in a Walker-type multianvil module at 5.9 GPa/1000°C. The crystal structure has been elucidated through single-crystal X-ray diffraction. β-Y(BO2)3 crystallizes in the orthorhombic space group Pnma (no. 62) with the lattice parameters a=15.886(2), b=7.3860(6), and c=12.2119(9) Å. Its crystal structure will be discussed in the context of the isotypic lanthanide borates β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu).

Zur Struktur und Dotierung von Selenosilikaten: die Kristallstruktur von Er2SeSiO4 und Er3,75Ca0,25Se2,75Cl0,25Si2O7 Structure and Doping of Seleno Silicates: the Crystal Structures of Er2SeSiO4 and Er3,75Ca0,25Se2,75Cl0,25Si2O7

1994 ◽  
Vol 49 (6) ◽  
pp. 733-740 ◽  
Author(s):  
Klaus Stöwe
Keyword(s):  
Crystal Structures ◽  
Structure Analysis ◽  
Rare Earths ◽  
Structure Determination ◽  
Lattice Parameters ◽  
Energy Dispersive ◽  
Space Group ◽  
X Ray ◽  
By Products

Well-shaped brown and pink isometric crystals were obtained as by-products of the synthesis of erbium selenides from the elements in evacuated and sealed silica ampoules with graphite inlets. They could be identified as erbium seleno mono- and disilicates by energy dispersive X-ray fluorescence and X-ray structure determination. The monosilicate Er2SeSiO4 crystallizes isotypically to Nd2SeSiO4 in the space group Pbcm with the lattice parameters a = 600.2(2), b = 688.0(2), c = 1075.2(2) pm and represents the second known seleno inosilicate of the rare earths. From X-ray structure analysis an isotypic relation between the disilicate Er3,75Ca0,25Se2,75Cl0,25Si2O7 and the compound Sm4S3Si2O7 was found, the former crystallizing in the space group I41/amd with the lattice parameters a - 1177.7(2) and c = 1376.5(2) pm. The doping o f the sorosilicate with the elements Ca and Cl originated from contam inations in the graphit inlets used in the procedure

Synthesis of ZrO2–Y6WO12 solid solution powders by a polymerized complex method

1998 ◽  
Vol 13 (4) ◽  
pp. 939-943 ◽  
Author(s):  
Junfeng Ma ◽  
Masahiro Yoshimura ◽  
Masato Kakihana ◽  
Masatomo Yashima
Keyword(s):  
Solid Solution ◽  
Crystallite Size ◽  
Surface Area ◽  
Solid Solutions ◽  
Lattice Parameter ◽  
Cubic Phase ◽  
Complex Method ◽  
Amorphous Precursor ◽  
Fine Powders ◽  
Polymerized Complex Method

A series of solid solutions (1 − x) ZrO2 · xY0.857 W0.143 O1.714 (1/7Y6WO12) of metastable cubic phase were synthesized at 800 °C through a polymerized complex method. Lattice parameter a0 of solid solutions varies linearly with Y0.857 W0.143 O1.714 content (x). Crystallization began to occur above 400 °C from amorphous precursor to yield at 800 °C fine powders of 6–10 nm and 19–40 m2/g for crystallite size and surface area, respectively.

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