Die Kristallstruktur von Methyltriphenylphosphoniumhexachlorotitanat [MePh3P]2TiCl6 / The Crystal Structure of Methyltriphenylphosphonium Hexachlorotitanate

1981 ◽  
Vol 36 (2) ◽  
pp. 135-137 ◽  
Author(s):  
Evamarie Hey ◽  
Ulrich Müller
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Unit Cell ◽  
Distorted Octahedron ◽  
Inversion Center ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions

The crystal structure of [MePh3P]2TiCl6 was determined from X-ray diffraction data and refined to a residual index of R = 0.065. It crystallizes in the space group P2i/n with two formula units per unit cell; the cell dimensions are a - 921, b = 1314, c = 1648 pm and y - 100.87°. The TiCl62- ion occupies an inversion center and has the shape of a slightly distorted octahedron with Ti-Cl distances between 233 and 235 pm.

Anionische Komplexe [Mo2(O2CPh)4X2]2⊖ mit X = N3, Cl, Br. Die Kristallstruktur von (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 / Anionic Complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, Cl, Br. The Crystal Structure of (PPh4)2[Mo2(O2C-Ph)4Cl2] · 2CH2Cl2

1985 ◽  
Vol 40 (1) ◽  
pp. 13-18 ◽  
Author(s):  
Kay Jansen ◽  
Kurt Dehnicke ◽  
Dieter Fenske
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Diffraction Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Anionic Complexes

The syntheses and IR spectra of the complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, CI, Br and the counter ion PPh4⊕ are reported. The azido and the bromo complexes are obtained from a solution of [Mo2(O2CPh)4] with PPh4N3 in pyridine or by reaction with PPh4Br in CH2Br2, respectively. When (PPh4)2[Mo2(O2CPh)4(N3)2] is dissolved in CH2Cl2, nitrogen is evolved and the complex with X = CI is obtained. The crystal structure of (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 was determined from X-ray diffraction data (5676 observed independent reflexions, R = 0.042). It crystallizes in the monoclinic space group P21/n with four formula units per unit cell; the lattice constants are a = 1549, b = 1400, c = 1648 pm, β = 94.6°. The centrosymmetric [Mo2(O2CPh)4Cl2]2⊖ ion has a rather short Mo-Mo bond of 213 pm, whereas the MoCl bonds are very long (288 pm)

The crystal structure of gersdorffite (III), a distorted and disordered pyrite structure

1968 ◽  
Vol 36 (283) ◽  
pp. 940-947 ◽  
Author(s):  
P. Bayliss ◽  
N. C. Stephenson
Keyword(s):  
Crystal Structure ◽  
Metal Atom ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Partially Ordered ◽  
The Ideal

SummaryThe crystal structure of gersdorffite (III) has been examined with three-dimensional Weissenberg X-ray diffraction data. The unit cell is isometric with a 5·6849 ± 0·0003 Å, space group PI, and four formula units per cell. This structure has the sulphur and arsenic atoms equally distributed over the non-metal atom sites of pyrite. All atoms show significant random displacements from the ideal pyrite positions to produce triclinic symmetry, which serves to distinguish this mineral from a disordered cubic gersdorffite (II) and a partially ordered cubic gersdorffite (I). Factors responsible for the atomic distortions are discussed.

scholarly journals Die Kristallstruktur von Methylquecksilberazid / The Crystal Structure of Methyl Mercury Azide

1973 ◽  
Vol 28 (7-8) ◽  
pp. 426-428 ◽  
Author(s):  
Ulrich Müller
Keyword(s):  
Crystal Structure ◽  
Radiation Damage ◽  
Diffraction Data ◽  
Methyl Mercury ◽  
Unit Cell ◽  
Outer Side ◽  
Methyl Groups ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

CH3HgN3 crystallizes in the space group P21/c with four molecules per unit cell. The structure was solved by common crystallographic methods using X-ray diffraction data that were collected at a temperature of 100°K. The cooling was necessary to limit the radiation damage of the crystals. The molecules possess an essentially linear C-Hg-N group; in the crystals they are associated to layers bearing the methyl groups on their outer side.

Crystal structure and powder X-ray diffraction data for new Tb3CuAl3Ge2 compound

2015 ◽  
Vol 30 (1) ◽  
pp. 63-66 ◽  
Author(s):  
Chao Zeng ◽  
Guoqiang Lin ◽  
Weijing Zeng ◽  
Wei He
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Unit Cell ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Quaternary Compound ◽  
Space Group ◽  
X Ray

The crystal structure of new Tb3CuAl3Ge2 quaternary compound was studied by the Rietveld method from powder X-ray diffraction (XRD) data. The Tb3CuAl3Ge2 compound crystallized in the hexagonal Y3NiAl3Ge2-type structure with space group P-62m (no. 189) and lattice parameters a = 7.0041(2) Å, c = 4.1775(1) Å, V = 177.48 Å3. There is only one formula in each unit cell, Z = 1, and the density of Tb3CuAl3Ge2 is ρx = 7.1696 g cm−3. The reliability factors characterizing the Rietveld refinement results are Rp = 6.43%, Rwp = 8.65%, RB = 4.81%, and RF = 4.09%, respectively. The powder XRD data of Tb3CuAl3Ge2 were presented and the reliability of indexation is F30 = 120.9(0.0073, 34).

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).

Synthesis and crystal structure of Na3.5Cr1.5Co0.5(PO4)3 phosphate

2006 ◽  
Vol 21 (3) ◽  
pp. 210-213 ◽  
Author(s):  
Mohamed Chakir ◽  
Abdelaziz El Jazouli ◽  
Jean-Pierre Chaminade
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Hexagonal Unit Cell ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

A new Nasicon phosphates series [Na3+xCr2−xCox(PO4)3(0⩽x⩽1)] was synthesized by a coprecipitation method and structurally characterized by powder X-ray diffraction. The selected compound Na3.5Cr1.5Co0.5(PO4)3 (x=0.5) crystallizes in the R3c space group with the following hexagonal unit-cell dimensions: ah=8.7285(3) Å, ch=21.580(2) Å, V=1423.8(1) Å3, and Z=6. This three-dimensional framework is built of PO4 tetrahedra and Cr∕CoO6 octahedra sharing corners. Na atoms occupy totally M(1) sites and partially M(2) sites.

Kristall- und Molekülstruktur von bis -Methallylnickel Ni[(CH2)2C · CH]2

1965 ◽  
Vol 122 (1-6) ◽  
pp. 60-72
Author(s):  
Rüdiger Uttech ◽  
Hans Dietrich
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

Abstract The crystal structure of bis-methallylnickel has been determined from three-dimensional x-ray diffraction data. The space group is P21/c-C5 2h with α = 6.05; 6 = 13,48; c = 5.83 Å; β = 117.1°. The unit cell contains 2 molecules with Ni in centres of symmetry. The methallyl groups are symmetrically bonded to the nickel in an anti-sandwich arrangement. This causes the intramolecular symmetry to be 2/m. The methallyl groups are found to be nonplanar and the Ni-C bonds are quite short (average 2.02 Å).

Darstellung und Struktur des KAu4Sn2 / Preparation and Crystal Structure of KAu4Sn2

1978 ◽  
Vol 33 (10) ◽  
pp. 1077-1079 ◽  
Author(s):  
Heinz-Dieter Sinnen ◽  
Hans-Uwe Schuster
Keyword(s):  
Crystal Structure ◽  
Ternary System ◽  
Single Crystal ◽  
Diffraction Data ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Abstract In the course of our investigation of the ternary system K-Au-Sn we obtained the new compound KAu4Sn2. Its crystal structure has been determinated from single crystal X-ray diffraction data. It crystallizes in the tetragonal space group 1̅4̅c2 with unit-cell parameters a = 884.7 and c = 817.8 pm and Z = 4. The structure is comparable to that of the Tl2Se.

X-Ray Crystal Structure of [Rh(OH2)6](ClO4)3.3H2O

1989 ◽  
Vol 42 (11) ◽  
pp. 2051 ◽  
Author(s):  
GD Fallon ◽  
L Spiccia
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Octahedral Sites ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The crystal structure of [Rh(OH2)6](ClO4)3.3H2O has been determined by single-crystal X-ray diffraction and found to be isomorphous with that of M(ClO4)2.6H2O (M= Fe, Zn, Mn, Co, Ni) and LiClO4.3H2O. Crystal: are hexagonal, space group P63mc with unit cell dimensions a 7.817(2) and c 5.208(1) �. The lattice consists of a uniform arrangement of H2O and ClO4- groups with the RhIII centre occupying 1/3 of the octahedral sites formed by the H2O groups. The RhIII is not situated at the centre of the octahedron. However, the two Rh-O distances [2.128(6) and 2.136(6) �] may be considered identical, i.e. within the errors.

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.

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