The Transition Metal-rich Orthophosphate Arrojadite with Special Structural Features

2010 ◽  
Vol 65 (12) ◽  
pp. 1427-1433 ◽  
Author(s):  
Christoph Kallfaß ◽  
Constantin Hoch ◽  
Hermann Schier ◽  
Arndt Simon ◽  
Helmut Schuber
Keyword(s):  
Crystal Structure ◽  
Transition Metal ◽  
Single Crystal ◽  
Structural Features ◽  
Nickel Plate ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Different Types ◽  
New Feature

The crystal structure of the transition metal-rich orthophosphate mineral arrojadite was reexamined, and the disorder phenomena were analyzed applying modern X-ray single-crystal diffraction and refinement methods on samples from Nickel Plate (USA) and Hagendorf (Germany). As a new feature of the arrojadite structure, two different types of channels oriented along [010] are described. The occupancy of the atomic positions inside these channels have been elucidated.

scholarly journals Synthesis, Characterization, and Crystal Structure of [Co4(CH3CO2)2L4]2[BPh4]4·0.5H2O, Where HL = 4-(Salicylaldiminato)antipyrine

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
Ramadan M. El-mehdawi ◽  
Abdussalam N. EL-dewik ◽  
Mufida M. Ben-Younes ◽  
Fathia A. Treish ◽  
Ramadan G. Abuhmaiera ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Schiff Base Ligand ◽  
Title Complex ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Tridentate Schiff Base

The title complex was isolated as a red solid from the reaction of 4-(salicylaldiminato)antipyrine, HL, and cobalt (II) acetate in ethanol. The complex has been characterized by elemental analysis, FTIR, UV-Vis, and X-ray single crystal diffraction. Two crystallographically different cationic units, A and B, of the title complex are found. Both units are essentially isostructural; nevertheless, small differences exist between them. Both units contain four cobalt atoms arranged at the corners of distorted cubane-like core alternatively with phenoxy oxygen of the Schiff base. In both cases, one cobalt binds to three coordinated sites from the corresponding tridentate Schiff base ligand, and the fourth one was bonded by the acetate oxygen, and the fifth and the sixth donor sites come from the phenolate oxygen of another Schiff base ligand.

Crystal Structure of the Dy3Ni11.83Si3.98 Compound

2019 ◽  
Vol 289 ◽  
pp. 77-81
Author(s):  
Bohdana Belan ◽  
Mykola Manyako ◽  
Katarzyna Pasinska ◽  
Marta Demchyna ◽  
Roman E. Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Large Family ◽  
Type Structure ◽  
Single Crystal Diffraction ◽  
Space Group ◽  
X Ray ◽  
Arc Melting ◽  
Pearson Symbol ◽  
Ternary Silicide

The new ternary silicide Dy3Ni11.83(1)Si3.98(1)was synthesized from the elements by arc-melting and its crystal structure was determined by X-ray single-crystal diffraction. The compound crystallizes in a Sc3Ni11Ge4-type structure: Pearson symbolhP38, space groupP63/mmc(No. 194),a= 8.1990(7),c= 8.6840(7) Å,Z= 2;R= 0.0222, wR= 0.0284 for 365 reflections. The structure belongs to a large family of structures related to the EuMg5.2type, with representatives among ternary aluminides, silicides, germanides,etc.

La6C2Br9: La-Tetraederdoppel mit endohedralen C4–-Ionen / La6C2Br9: La Bitetrahedral Clusters with Endohedral C4− Ions

2007 ◽  
Vol 62 (2) ◽  
pp. 143-147 ◽  
Author(s):  
Hansjürgen Mattausch ◽  
Constantin Hoch ◽  
Arndt Simon
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Molar Ratio ◽  
Single Crystal Diffraction ◽  
Space Group ◽  
X Ray

Monophasic La6C2Br9 was prepared by heating a mixture of LaBr3, lanthanum metal and carbon in a molar ratio of 3 : 3 : 2 at 840 °C for 5 d. The crystal structure was investigated by X-ray single crystal diffraction (space group C2/c, a = 14.234(3), b = 10.858(2), c = 14.588(3) Å , β = 106.80(3) °). In the structure the La atoms form edge-sharing double tetrahedra. The La tetrahedra are centered by single carbon atoms. The yellow crystals of La6C2Br9 are transparent and electrically insulating.

Crystal architecture of R 2SnS5 (R = Pr, Nd, Gd and Tb): crystal structure relationships in chalcogenides

2008 ◽  
Vol 64 (2) ◽  
pp. 172-176 ◽  
Author(s):  
Marek Daszkiewicz ◽  
Lubomir D. Gulay ◽  
Vasylyna Ya. Shemet
Keyword(s):  
Crystal Structure ◽  
Comparative Analysis ◽  
Single Crystal ◽  
Copper Ions ◽  
Stoichiometric Compound ◽  
Single Crystal Diffraction ◽  
Interatomic Distances ◽  
X Ray ◽  
Structural Relationships ◽  
Complex Architecture

The crystal structure of the R 2SnS5 (R = Pr, Nd, Gd and Tb) compounds has been investigated using X-ray single-crystal diffraction. Crystal architecture and structural relationships among U3S5, Y2HfS5, R 2SnS5 compounds are discussed and a structural origin is determined. It is shown that the complex architecture of the crystal structure of Eu5Sn3S12 is a result of interweaving of the simple crystal structures. The location of the copper ions in the non-stoichiometric compound Y2Cu0.20Sn0.95S5 is proposed on the basis of comparative analysis of the R—S interatomic distances in the R 2SnS5 series of compounds.

Preparation and Crystal Structure Er (III) Complex with 2-Formylbenzenesulfonic Sodium-3-Thiosemicarbazide

2011 ◽  
Vol 396-398 ◽  
pp. 993-996
Author(s):  
Xi Shi Tai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Layered Structure ◽  
Ir Spectrum ◽  
Two Dimensional ◽  
Single Crystal Diffraction ◽  
Element Analysis ◽  
X Ray ◽  
Complex Forms

A novel ligand containing sulfonic has been synthesized using 2-formylbenzenesulfonic sodium and 3-thiosemicarbazide as starting materials, and a Er (III) complex was synthesized. The ligand was characterized by element analysis and IR spectrum. The crystal structure of the Er (III) complex was determined by X-ray single crystal diffraction. The results showed that the compound was triclinic, with P-1, a = 1.0596(4) nm, b = 1.3700(5) nm, c = 1.8305(7) nm, V = 2.4726(16) nm3, Z=2, M r= 1244.42, De =1.671 g/cm3, T = 273(2) K, F (000) = 1270, R = 0.0517 and wR = 0.1124. The complex forms two-dimensional layered structure through hydrogen bonds and π-π stacking.

Boron-Carbon Order and Symmetry Control: Single-Crystal X-Ray Study of SmB2C2

2006 ◽  
Vol 61 (6) ◽  
pp. 727-732 ◽  
Author(s):  
Volodymyr Babizhetskyy ◽  
Constantin Hoch ◽  
Hansjürgen Mattausch ◽  
Arndt Simon
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Single Crystal Diffraction ◽  
Space Group ◽  
X Ray ◽  
Arc Melting ◽  
Boron Carbon

The title compound was prepared from the elements by arc-melting followed by annealing in silica tubes at 1270 K for one week. The crystal structure was investigated by means of X-ray single crystal diffraction: space group P4/mbm, a = 5.366(1), c = 3.690(1) Å , Z = 2, R1 = 0.010, wR2 = 0.022 for 245 unique reflections with Io > 2σ (Io) and 12 refined parameters. Group-subgroup relationships of MB6 and MB2C2 structure models are discussed

X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl2x In2(1−x)Se2, x = 0.2, 0.3,...0.9

1998 ◽  
Vol 54 (4) ◽  
pp. 358-364 ◽  
Author(s):  
K. G. Hatzisymeon ◽  
S. C. Kokkou ◽  
A. N. Anagnostopoulos ◽  
P. I. Rentzeperis
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Rietveld Method ◽  
Direct Methods ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Cell Parameters ◽  
Volume Decrease

A series of thallium ternary chalcogenides with the composition Tl2x In2(1−x)Se2, x = 0.2, 0.3,...0.9, have been studied by X-ray powder and, for some of them, single-crystal diffraction. They are tetragonal, space group I4/mcm, Z = 4, and isostructural with the binary semiconductor TlSe. Their crystal structures have been solved by direct methods and refined by the Rietveld method to a precision which is satisfactorily comparable to single-crystal results. As x is changed from x = 0.2 to x = 0.9 the unit-cell parameters and volume decrease or increase following Kurnakov's law, which is valid for solid solutions. Refined positional parameters of Se, In—Se and Tl—Se bond lengths vary with x also according to the same law. The distribution of In and Tl cations in 4(a) and 4(b) sites depends on the stoichiometry x and the crystals are composed of [In3+Se2]_{\infty}^- chains along the c axis in which InSe4 tetrahedra share edges; the chains are interconnected with Tl+(In+) ions.

scholarly journals Raman Spectroscopy and Single-Crystal High-Temperature Investigations of Bentorite, Ca6Cr2(SO4)3(OH)12·26H2O

Minerals ◽  
2019 ◽  
Vol 10 (1) ◽  
pp. 38
Author(s):  
Rafał Juroszek ◽  
Biljana Krüger ◽  
Irina Galuskina ◽  
Hannes Krüger ◽  
Martina Tribus ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Single Crystal ◽  
Chemical Formula ◽  
Crystal Chemical Formula ◽  
Single Crystal Diffraction ◽  
Bending Vibrations ◽  
X Ray ◽  
First Time

The crystal structure of bentorite, ideally Ca6Cr2(SO4)3(OH)12·26H2O, a Cr3+ analogue of ettringite, is for the first time investigated using X-ray single crystal diffraction. Bentorite crystals of suitable quality were found in the Arad Stone Quarry within the pyrometamorphic rock of the Hatrurim Complex (Mottled Zone). The preliminary semi-quantitative data on the bentorite composition obtained by SEM-EDS show that the average Cr/(Cr + Al) ratio of this sample is >0.8. Bentorite crystallizes in space group P31c, with a = b = 11.1927(5) Å, c =21.7121(10) Å, V = 2355.60(18) Å3, and Z = 2. The crystal structure is refined, including the hydrogen atom positions, to an agreement index R1 = 3.88%. The bentorite crystal chemical formula is Ca6(Cr1.613Al0.387)Σ2[(SO4)2.750(CO3)0.499]Σ3.249(OH)11.502·~25.75H2O. The Raman spectra of bentorite from two different localities exhibit the presence of the main stretching and bending vibrations related to the sulfate group at 983 cm−1 (ν1), 1109 cm−1 (ν3), 442 cm−1 (ν2), and 601 cm−1 (ν4). Moreover, the presence of bands assigned to the symmetric Cr(OH)63− stretching mode and hydroxyl deformation vibrations of Cr–OH units at ~540 cm−1 and ~757 cm−1, respectively, may be used to distinguish between ettringite and bentorite. In situ high temperature single crystal XRD experiments show that the decomposition of bentorite starts at ca. 45 °C and that a dehydroxylation product similar to metaettringite is formed.

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