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.

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.

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.

Notizen: Darstellung und Kristalldaten der isomorphen Kupferthio(seleno)phosphate Cu7PS6 und Cu7PSee / Preparation and Crystal Data of the Isomorphous Copperthio(seleno)phosphates Cu7PS6 and Cu7PSe6

1977 ◽  
Vol 32 (9) ◽  
pp. 1100-1101 ◽  
Author(s):  
W. F. Kuhs ◽  
M. Schulte-Kellinghaus ◽  
V. Krämer ◽  
R. Nitsche
Keyword(s):  
Thermal Decomposition ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Lattice Parameters ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

The title compounds were prepared by annealing the elements in stoichiometric proportions at 720 °C as well as by thermal decomposition of Cu3PS4 or Cu3PSe4. They crystallize in the space group P213 with lattice parameters a = 9.671(1) and 10.116(1) Å resp.; X-ray powder diffraction data are listed.

Schwermetall-π-Komplexe II [1] Arenkomplexe des Quecksilbers(I)

1987 ◽  
Vol 42 (7) ◽  
pp. 828-834 ◽  
Author(s):  
W. Frank ◽  
B. Dincher
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Aluminium Trichloride

Abstract The crystalline compounds [(CH3C6H5)2Hg,][AlCl4]2 (1), [(1,2-(CH3)2C6H4)2Hg2][AlCl4]2(2), [(1,3,5-(CH3)3C6H3)2Hg2][AlCl4]2 (3), [1,2,4,5-(CH3)4C6H2Hg2][AlCl4]2 (4) and [((CH3)6C6)2Hg2][AlCl4]2-CH3C6H5 (5) have been prepared from mercury(I)chloride, aluminium trichloride and the corresponding arenes and characterized by elem ental analysis. The crystal structure of 5 has been determ ined from single crystal X-ray diffraction data and refined to R - 0.093 for 3269 unique reflections. Crystal data: monoclinic, space group P21/c, a = 2116(1), b = 1095.1(7), c = 1880(1) pm, β - 104,9(1)°, Z = 4. Each atom of a central Hg2 unit (Hg -Hg distance 251.5 pm) is asymmetrically complexed by hexamethylbenzene, the Hg - Carene distances being in the range from 241 to 340 pm. Two distorted AlCl4 tetrahedra complete a “molecular” [arene2Hg2][AlCl4]2 unit. The shortest Hg-Cl distances are 310 and 312 pm, respectively.

YbMgSn und Eu3Mg4Sn4, erste ternäre Verbindungen in den Dreistoffsystemen Seltene Erden-Magnesium-Zinn / YbMgSn and Eu3Mg4Sn4, First Ternary Compounds in the Systems Rare Earths-Magnesium-Tin

1993 ◽  
Vol 48 (2) ◽  
pp. 240-242 ◽  
Author(s):  
H. Allescher-Last ◽  
H.-U. Schuster
Keyword(s):  
Single Crystal ◽  
Rare Earths ◽  
Type Structure ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Ternary Compounds ◽  
Seltene Erden ◽  
P Type

AbstractTwo new ternary compounds YbMgSn and Eu?Mg4Sn4 have been prepared and characterized by X-ray diffraction. YbMgSn crystallizes in the Fe-,P-type structure, space group P-62m. The compound Eu3Mg4Sn4 crystallizes orthorhom bically in the space group Immm. It is isotypic to Li4Sr3Sb4. The structures were calculated from single crystal data.

Chloronitrosylkomplexe von Ruthenium(II) Die Kristallstruktur von (PPh3Me)2[Ru(NO)Cl4]2-2 CH2Cl2 / Chloro Nitrosyl Complexes of Ruthenium (II) The Crystal Structure of (PPh3Me)2 [Ru(NO)Cl4]2 • 2 CH2Cl2

1985 ◽  
Vol 40 (12) ◽  
pp. 1672-1676 ◽  
Author(s):  
Dieter Fenske ◽  
Udo Demant ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Thionyl Chloride ◽  
Diffraction Data ◽  
Ir Spectrum ◽  
Bond Angle ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Nitrosyl Complexes

Abstract Ruthenium trichloride, obtained from its hydrate with thionyl chloride, reacts with excess trichloronitrom ethane yielding polymer [Ru(NO)Cl3]; by addition of triphenylmethylphosphonium chloride in dichlorom ethane (PPh3Me)2[Ru(NO)Cl4]2 · 2 CH2Cl2 is obtained, the IR spectrum of which is reported and assigned. Its crystal structure was determined with X-ray diffraction data (6404 independent observed reflexions, R = 0.068). Crystal data at -90 °C: a = 1145, b = 1591, c = 1406 pm, β = 96,0°, Z = 2, space group P21/C. The structure consists of PPh3Me⊕ cations, centrosymmetric anions [Ru(NO)Cl4]22⊖ nearly fulfilling C2h symmetry, and CH2Cl2 molecules. In the anions the Ru atoms are linked via chloro bridges; the nitrosyl groups occupy axial positions with bond distances RuN of 175 and NO of 113 pm, bond angle RuNO 172.7°.

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.

Electron density and electrostatic properties of two peptide molecules: tyrosyl-glycyl-glycine monohydrate and glycyl-aspartic acid dihydrate

2000 ◽  
Vol 56 (4) ◽  
pp. 728-737 ◽  
Author(s):  
Virginie Pichon-Pesme ◽  
Hassane Lachekar ◽  
Mohamed Souhassou ◽  
Claude Lecomte
Keyword(s):  
High Resolution ◽  
Electron Density ◽  
Diffraction Data ◽  
Experimental Studies ◽  
Lattice Parameters ◽  
Crystal Data ◽  
Topological Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electrostatic Properties

The electron density and electrostatic properties of Tyr-Gly-Gly and Gly-Asp molecules have been determined from high-resolution X-ray diffraction data at 123 K. Topological properties of the charge distribution are discussed and compared with those derived from other experimental studies on peptide molecules, and the characteristics of the (3,−1) critical points of the C=O, C—N, C—C bonds are analysed. Crystal data for Tyr-Gly-Gly: C13H17N3O5·H2O, Mr = 313, orthorhombic, P212121, Z = 4, T = 123 ± 2 K; lattice parameters: a = 7.984 (2), b = 9.535 (3), c = 18.352 (5) Å, V = 1397.1 (6) Å3, Dx = 1.49 g cm−3, μ = 1.2 cm−1 for λMo = 0.7107 Å. Crystal data for Gly-Asp: C6H10N2O5·2H2O, Mr = 212, orthorhombic, P212121, Z = 4, T = 123 ± 2 K; lattice parameters: a = 9.659 (1), b = 9.672 (1), c = 10.739 (1) Å, V = 1003.3 (4) Å3, Dx = 1.40 g cm−3, μ = 1.3 cm−1 for λMo = 0.7107 Å.

scholarly journals Dimethylantimonazid: Synthese, Spektren und Kristallstruktur Dimethylbismutazid: Synthese und Kristallstruktur Trimethylbleiazid: Verfeinerung der Kristallstruktur / Dimethyl Antimony Azide: Preparation, Spectra and Crystal Structure Dimethyl Bismut Azide: Synthesis and Crystal Structure Trimethyl Lead Azide: Refinem ent of the Crystal Structure

1985 ◽  
Vol 40 (10) ◽  
pp. 1320-1326 ◽  
Author(s):  
Joachim Müller ◽  
Ulrich Müller ◽  
Almuth Loss ◽  
Jörg Lorberth ◽  
Harald Donath ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Lone Pair ◽  
Lead Azide ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Trigonal Bipyramidal

Reaction of Me2SbBr or Et2SbBr with AgN3 in ether affords Me2SbN3 and Et:SbN3. respectively. Me2SbN3 can also be obtained from Me2SbNMe2 and HN3 in ether. Me2BiN3 from Me2BiN(SiMe3)3 and HN3 in ether. Me2SbN3 and Et2SbN3 dissolve as monomers in benzene; 1H, 13C, iaN and 15N NMR spectra of the solutions are reported. IR and Raman spectra of solid Me2SbN3 and Et2SbN, as well as the mass spectrum of Me2SbN3 are assigned. The crystal structures of Me2SbN3 and Me2BiN3 were determined by X-ray diffraction data collected at -67 °C (888 and 439 reflexions, R = 0.024 and 0.076. respectively). Both compounds are isotypic, space group Pnma. Z = 4. Crystal data: Me2SbN3, a = 843.6. b = 919.3, c = 744.1 pm: Me2BiN3, a - 870.8. b = 911.3, c = 738.4 pm. In the crystals, the metal atoms are linked via the aN atoms of the azido groups to form endless zig-zag chains. Whereas the Bi -N distances are equal. Sb-N bonds alternate with two different lengths (232 and 243 pm). Including the lone pair of electrons, the metal coordination can be described as distorted trigonal bipyramidal, with nitrogen atoms occupying the apical positions. With new X-ray diffraction data collected at -100 °C, the crystal structure of Me3PbN3 was refined (1692 reflexions, R = 0.036). Crystal data: a = 656.3, c = 1377 pm. space group P3221, Z = 3. It consists of endless metal-nitrogen chains of helical symmetry. the Pb atoms having trigonal bipyramidal coordination.

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