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.

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.

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.

Crystal data for ternary compounds of the system Cu–As2Se3

1987 ◽  
Vol 20 (4) ◽  
pp. 323-323
Author(s):  
C. A. Majid ◽  
M. A. Hussain
Keyword(s):  
Diffraction Data ◽  
Lattice Parameters ◽  
Structural Studies ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Ternary Compounds

Structural studies of polycrystalline CuAsSe2, Cu3AsSe4 and Cu3AsSe3 are reported. These were found to be cubic with space group Pm{\bar 3}m and lattice parameters as follows: (1) CuAsSe2: a = 5.513(4) Å, V = 167.47(1) Å3, Z = 2; Dm = 5.56(6), Dx = 5.88 g cm−3. (2) Cu3AsSe4: a = 5.530(5) Å; V = 169.11(2) Å3; Z = 1; Dm = 5.51(5), Dx = 5.75 g cm−3. (3) Cu3AsSe3: a = 5.758(9) Å, V = 190.87(3) Å3, Z = 1, Dm = 5.03(9), Dx = 4.45 g cm−3. X-ray diffraction data using a Rigaku DMAX-IIIA diffractometer and Cu Kα radiation.

Crystal structure of Sc3Co1.64In4 and Sc10Co9In20 from single-crystal data

2019 ◽  
Vol 74 (3) ◽  
pp. 289-295 ◽  
Author(s):  
Nataliya Gulay ◽  
Yuriy Tyvanchuk ◽  
Marek Daszkiewicz ◽  
Bohdan Stel’makhovych ◽  
Yaroslav Kalychak
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Arc Melting ◽  
Pure Metals

AbstractTwo compounds in the Sc-Co-In system were obtained by arc-melting of the pure metals and their crystal structures have been determined using single crystal X-ray diffraction data. The structure of Sc3Co1.64In4 (space group P6̅, а=7.6702(5), c=3.3595(2) Å, Z=1, R1=0.0160, wR2=0.0301) belongs to the Lu3Co2−xIn4 type structure, which is closely related to the ZrNiAl and Lu3CoGa5 types. The structure of Sc10Co9In20 (space group P4/nmm, а=12.8331(1), c=9.0226(1) Å, Z=2, R1=0.0203, wR2=0.0465) belongs to the Ho10Ni9In20 type, which is closely related to HfNiGa2.

Powder X-ray diffraction data for UAl4

1996 ◽  
Vol 11 (4) ◽  
pp. 299-300 ◽  
Author(s):  
N. V. Chandra Shekar ◽  
P. Ch. Sahu ◽  
M. Sekar ◽  
Mohammad Yousuf ◽  
K. Govinda Rajan
Keyword(s):  
Diffraction Data ◽  
Single Phase ◽  
Unit Cell ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

The X-ray diffraction data for the single phase UAl4 are reported. The data were obtained with a Huber–Guinier diffractometer with MoKα1 radiation. The unit cell of UAl4 is orthorhombic (space group Imma) with lattice parameters a=4.396 Å, b=6.251 Å, and c=13.699 Å.

New Indides EuAuIn2, EuPdIn4, GdRhIn2, YbRhIn4, and YbPdIn4

2000 ◽  
Vol 55 (9) ◽  
pp. 834-840 ◽  
Author(s):  
Rolf-Dieter Hoffmann ◽  
Rainer Pöttgen ◽  
Vasyl’ I. Zaremba ◽  
Yaroslav M. Kalychak
Keyword(s):  
High Frequency ◽  
Three Dimensional ◽  
Melting Furnace ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Type Space ◽  
Arc Melting ◽  
Indium Compounds ◽  
Host Lattices

New intermetallic indium compounds EuAuIn2, EuPdIn4, GdRhIn2, YbRhln4, and YbPdIn4 were obtained by reaction of the elements. GdRhIn2 was synthesized in an arc-melting furnace, while EuAuIn2, EuPdln4, YbRhIn4, and YbPdIn4 were prepared in sealed tantalum tubes in a high-frequency furnace. The five compounds were investigated by X-ray diffraction both on powders and single crystals. EuAuIn2 and GdRhIn2 adopt the MgCuAl2 type structure with space group Cmcm. Single crystal X-ray data yielded a = 468.1(2), b = 1105.5(4), c = 753.5(4) pm, wR2 = 0.096, 343 F2 values for EuAuIn2 and a = 435.0(1), b = 1013.3(3), c = 783.6(2) pm, wR2 = 0.042, 608 F2 values for GdRhIn2 with 16 variables for each refinement. The two structures may be described as gold or rhodium filled versions of the host lattices Euln2 and GdIn2 . The three-dimensional indium networks of EuAuIn2 and GdRhIn2 resemble the lonsdaleite structure. Both structures are built up from three-dimensional [Auln2] and [Rhln2] poly anions in which the europium and gadolinium atoms occupy distorted hexagonal tubes. The modulations of the In-In distances within the indium networks are compared with other MgCuAl2 type indides. EuPdIn4 and YbPdIn4 crystallize with the YNiAl4 type, space group Cmcm: a = 454.8(2), b = 1703.2(8), c = 738.0(3) pm, wR2 = 0.044, 501 F2 values for EuPdIn4 and a = 445.8(2), b = 1666.0(4), c = 747.3(2) pm, wR2 = 0.050, 711 F2 values for YbPdIn4 with 24 variables for each refinement. In contrast, YbRhln4 adopts the LaCoAl4 type, space group Pmma: a = 863.7(2), b = 422.5(1), c = 743.1(1) pm, wR2 = 0.051, 467 F2 values and 24 variables. EuPdIn4, YbPdlIn4, and YbRhIn4 too consist of three-dimensional [Pdln4] and [Rhln4] polyanions in which the europium and ytterbium atoms are located in distorted hexagonal and pentagonal channels. Common structural motifs of these indides are distorted bcc-like indium cubes which are compared with the structures of Y2CoIn8, YCoIn5, EuRh2ln8, and elemental indium. Chemical bonding in these indides is briefly discussed

scholarly journals Single-crystal investigation of the compound SmNi5.2Mn6.8

2020 ◽  
Vol 75 (3) ◽  
pp. 303-307
Author(s):  
Bohdana Belan ◽  
Dorota Kowalska ◽  
Mykola Manyako ◽  
Mariya Dzevenko ◽  
Yaroslav Kalychak
Keyword(s):  
Crystal Structure ◽  
Intermetallic Compound ◽  
Single Crystal ◽  
Diffraction Data ◽  
Structure Type ◽  
Tetragonal Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Arc Melting

AbstractThe intermetallic compound SmNi5.2Mn6.8 was synthesized by arc-melting and its crystal structure has been determined using single-crystal X-ray diffraction data. The compound adopts the tetragonal structure type ThMn12: space group I4/mmm, Pearson code tI26, Z = 2; a = 8.6528(3), c = 4.8635(3) Å; R1 = 0.0175, wR2 = 0.0372, 171 F2 values, 17 refined variables. The two crystallographic positions 8f and 8j in the structure of SmNi5.2Mn6.8 are occupied by a mixture of Mn and Ni atoms.

The Yttrium Oxide Fluoride Solid Solution Described as a Composite Modulated System

1998 ◽  
Vol 54 (4) ◽  
pp. 391-398 ◽  
Author(s):  
S. Schmid
Keyword(s):  
Solid Solution ◽  
Yttrium Oxide ◽  
Diffraction Data ◽  
Substantial Reduction ◽  
Lattice Parameters ◽  
Group Symmetry ◽  
X Ray Diffraction ◽  
Modulated Structure ◽  
X Ray ◽  
Wide Range

Single-crystal X-ray diffraction data (Mo Kα radiation) are used to determine the structure of the Δ = 0.174 member of a (YO1 − ΔFΔ)F1 + Δ, 0.12 ≤ Δ ≤ 0.22, wide-range non-stoichiometric solid solution in the yttrium oxide fluoride system. The structure is refined as a composite modulated structure composed of two mutually incommensurable Q and H substructures with overall superspace-group symmetry Acmm(0,0,1.174..)0s0. The Q substructure has lattice parameters a = 5.415 (2), bQ = 5.534 (2) and cQ = 5.525 (2) Å, and superspace-group symmetry Acmm(0,0,1.174..)0s0. The H substructure has lattice parameters a = 5.415 (2), bH = 1/2bQ = 2.767 (1) and cH  = 4.696 (2) Å, and superspace-group symmetry Pmcm(0,1/2,0.8518...)s00. Refinement on 338 unique reflections converged to R = 0.025, while a previous conventional superstructure refinement led to R = 0.101. This lowering of the R factor goes hand-in-hand with a substantial reduction in the number of refined parameters.

X-ray powder diffraction data for Ba3MnSi2O8—A new phase in the system BaO–MnO–SiO2

1996 ◽  
Vol 11 (1) ◽  
pp. 26-27 ◽  
Author(s):  
Irena Georgieva ◽  
Ivan Ivanov ◽  
Ognyan Petrov
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Data Interpretation ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Phase

A new compound—Ba3MnSi2O8 in the system BaO–MnO–SiO2 was synthesized and studied by powder X-ray diffraction. The compound is hexagonal, space group—P6/mmm, a=5.67077 Å, c=7.30529 Å, Z=1, Dx=5.353. The obtained powder X-ray diffractometry (XRD) data were interpreted by the Powder Data Interpretation Package.

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).

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