Lattice Parameters Between 5° and 298°K and Crystal Structure at 5°K of Cobalt Chloride Dihydrate

1966 ◽  
Vol 44 (1) ◽  
pp. 252-257 ◽  
Author(s):  
Bruno Morosin
Keyword(s):  
Crystal Structure ◽  
Cobalt Chloride ◽  
Lattice Parameters ◽  
Chloride Dihydrate

scholarly journals Crystal structure of K[Hg(SCN)3] – a redetermination

2014 ◽  
Vol 70 (9) ◽  
pp. i46-i46 ◽  
Author(s):  
Matthias Weil ◽  
Thomas Häusler
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Three Dimensional ◽  
Lattice Parameters ◽  
Bond Lengths ◽  
Dimensional Network ◽  
Anisotropic Displacement Parameters ◽  
Precision And Accuracy ◽  
Standard Deviations ◽  
Atomic Coordinates

The crystal structure of the room-temperature modification of K[Hg(SCN)3], potassium trithiocyanatomercurate(II), was redetermined based on modern CCD data. In comparison with the previous report [Zhdanov & Sanadze (1952).Zh. Fiz. Khim.26, 469–478], reliability factors, standard deviations of lattice parameters and atomic coordinates, as well as anisotropic displacement parameters, were revealed for all atoms. The higher precision and accuracy of the model is, for example, reflected by the Hg—S bond lengths of 2.3954 (11), 2.4481 (8) and 2.7653 (6) Å in comparison with values of 2.24, 2.43 and 2.77 Å. All atoms in the crystal structure are located on mirror planes. The Hg2+cation is surrounded by four S atoms in a seesaw shape [S—Hg—S angles range from 94.65 (2) to 154.06 (3)°]. The HgS4polyhedra share a common S atom, building up chains extending parallel to [010]. All S atoms of the resulting1∞[HgS2/1S2/2] chains are also part of SCN−anions that link these chains with the K+cations into a three-dimensional network. The K—N bond lengths of the distorted KN7polyhedra lie between 2.926 (2) and 3.051 (3) Å.

scholarly journals New Quaternary Chalcogenides Tl2MIIMIV3Se8 and Tl2MIIMIVX4

Proceedings ◽  
2020 ◽  
Vol 62 (1) ◽  
pp. 3
Author(s):  
Andrii Selezen ◽  
Yuri Kogut ◽  
Lyudmyla Piskach ◽  
Lubomir Gulay
Keyword(s):  
Crystal Structure ◽  
Ternary Systems ◽  
Lattice Parameters ◽  
Tetragonal Symmetry ◽  
Orthorhombic Symmetry ◽  
Component Ratio

New quaternary thallium-containing chalcogenides Tl2MIIMIV3X8 and Tl2MIIMIVX4 were synthesized, and their crystal structure was determined by XRD. Three Tl2MIIMIV3X8 chalcogenides crystallize in orthorhombic symmetry (S.G. P212121; Tl2CdGe3Se8 lattice parameters a = 0.76023(9), b = 1.2071(2), c = 1.7474(2) nm), eight isostructural Tl2BIIDIVX4 compounds crystallize in tetragonal symmetry, S.G. I-42m. These compounds form in the quasi-ternary systems Tl2X–MIIX–MIVX2 (X–S, Se, Te) at the component ratio 1:1:1 and 1:1:3 at the sections Tl2MIVX3–BIIX and Tl2MIIMIVX4–MIVX2, respectively. The composition of the Tl2CdGe3Se8 compound was additionally confirmed by SEM and EDS.

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.

Crystal structure of KCaF3 determined by the Rietveld profile method

1997 ◽  
Vol 12 (2) ◽  
pp. 70-75 ◽  
Author(s):  
Alicja Ratuszna ◽  
Michel Rousseau ◽  
Philippe Daniel
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Lattice Parameters ◽  
Profile Method ◽  
Anisotropic Temperature ◽  
Monoclinic Distortion ◽  
Refinement Procedure ◽  
Watson Statistic ◽  
Temperature Factors ◽  
Atomic Coordinates

Using the Rietveld profile method, the atomic coordinates and anisotropic temperature factors of KCaF3 were refined. At room temperature, KCaF3 crystallizes in monoclinic B21/m symmetry, with the lattice parameters: a=8.754(2) Å, b=8.765(4) Å, c=8.760(5) Å, β=90.48(3)°, V=672.1(3) Å3, Z=8. The refinement procedure was stopped when RB=0.05 and the Durbin–Watson statistic factor=0.85 had been reached. The structure determined is related to the tilting of CaF6 octahedra of the a−b+c− type, which are responsible for the monoclinic distortion in perovskite crystals.

Crystal Structure of Diphenyl Pyraline Hydrochloride-Cobalt Chloride Complex

1994 ◽  
Vol 250 (1) ◽  
pp. 285-291
Author(s):  
M. A. Sridhar ◽  
A. Indira ◽  
S. B. Bellad ◽  
A. M. Babu ◽  
M. M. M. Abdoh ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Cobalt Chloride ◽  
Chloride Complex

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).

Crystal structure and lattice parameters of curium trichloride

1967 ◽  
Vol 29 (11) ◽  
pp. 2745-2751 ◽  
Author(s):  
J.C. Wallmann ◽  
J. Fuger ◽  
J.R. Peterson ◽  
J.L. Green
Keyword(s):  
Crystal Structure ◽  
Lattice Parameters

scholarly journals Crystal structure and spectroscopic characterization of a cobalt(II) tetraazamacrocycle: completing a series of first-row transition-metal complexes

2017 ◽  
Vol 73 (8) ◽  
pp. 620-624 ◽  
Author(s):  
Katherine M. Van Heuvelen ◽  
Isabell Lee ◽  
Katherine Arriola ◽  
Rilke Griffin ◽  
Christopher Ye ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Spin State ◽  
Density Functional ◽  
Cobalt Complex ◽  
Chloride Ion ◽  
Spectroscopic Characterization ◽  
Spectroscopic Studies ◽  
Chloride Dihydrate ◽  
Pyramidal Geometry ◽  
A Minor

The tetraazamacrocyclic ligand 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane (TMC) has been used to bind a variety of first-row transition metals but to date the crystal structure of the cobalt(II) complex has been missing from this series. The missing cobalt complex chlorido(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N)cobalt(II) chloride dihydrate, [CoCl(C14H32N4)]Cl·2H2O or [CoIICl(TMC)]Cl·2H2O, crystallizes as a purple crystal. This species adopts a distorted square-pyramidal geometry in which the TMC ligand assumes the trans-I configuration and the chloride ion binds in the syn-methyl pocket of the ligand. The CoII ion adopts an S = 3 \over 2 spin state, as measured by the Evans NMR method, and UV–visible spectroscopic studies indicate that the title hydrated salt is stable in solution. Density functional theory (DFT) studies reveal that the geometric parameters of [CoIICl(TMC)]Cl·2H2O are sensitive to the cobalt spin state and correctly predict a change in spin state upon a minor perturbation to the ligand environment.

scholarly journals Redetermination of the crystal structure of ThI4

IUCrData ◽  
2018 ◽  
Vol 3 (2) ◽  
Author(s):  
H. Lars Deubner ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Coordination Number ◽  
Coordination Polyhedron ◽  
Lattice Parameters ◽  
Structure Model ◽  
Reliability Factor ◽  
Thorium Dioxide

Single crystals of ThI4, thorium(IV) tetraiodide, were grown from thorium dioxide and aluminium triiodide. In comparison with the structure model reported previously for this compound [Zalkinet al.(1964).Inorg. Chem.3, 639–644], we have determined the lattice parameters and fractional coordinates to a much higher precision, also leading to a better reliability factor (R= 0.029versus0.09). The coordination number of the ThIVatom is eight. Its coordination polyhedron has the shape of an irregular square antiprism. The I atoms each bridge two ThIVatoms, resulting in the formation of infinite layers parallel to (-101) that can be described with the Niggli formula2∞[ThI6/2I2/2].

scholarly journals Crystal structure analysis of LiN(DxH1-x)4SO4by neutron diffraction

2014 ◽  
Vol 70 (a1) ◽  
pp. C1703-C1703
Author(s):  
Shin Ae Kim ◽  
Chang-Hee Lee
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Diffraction Method ◽  
Crystal Structure Analysis ◽  
Ferroelectric Materials ◽  
Lattice Parameters ◽  
Least Square ◽  
Intensity Data ◽  
Hydrogen Atoms ◽  
Neutron Intensity

The crystal structure of Li(ND4)SO4 was analysed by neutron diffraction method. The crystal is a partially deuterated Li(NH4)SO4 and one of the ferroelectric materials with hydrogen atoms. The crystal is orthorhombic at room temperature with lattice parameters of a=5.2773(5) Å, b=9.124(2) Å, c=8.772(1) Å and Z=4. Neutron intensity data were collected on the Four-Circle Diffractometer (FCD) at HANARO in Korea Atomic Energy Research Institute. The structure was refined by full-matrix least-square to final R value of 0.049 for 745 observed reflections by neutron diffraction. All atomic positions of four hydrogen atoms at NH4 and the occupation factors of D and H were refined. From these results we obtained the average chemical structure of this sample, LiND3.05H0.95SO4. Five years later, neutron intensity data were collected and analysed once more with same crystal. The crystal is orthorhombic but with different lattice parameters, or hexagonal. We will report and discuss these results in this presentation.

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