Coordinative Intercalation of Alkylamines into Layered Zinc Phenylphosphonate. Crystal Structures from X-ray Powder Diffraction Data

1995 ◽  
Vol 117 (45) ◽  
pp. 11278-11284 ◽  
Author(s):  
Damodara M. Poojary ◽  
Abraham Clearfield
Keyword(s):  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
X Ray

The crystal structures of solvent-free alkali-metal squarates from powder diffraction data

2005 ◽  
Vol 220 (11) ◽  
Author(s):  
Robert E. Dinnebier ◽  
Hanne Nuss ◽  
Martin Jansen
Keyword(s):  
High Resolution ◽  
Alkali Metal ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Solvent Free ◽  
Crystallographic Data ◽  
Powder Diffraction Data ◽  
X Ray

AbstractThe crystal structures of solvent-free lithium, sodium, rubidium, and cesium squarates have been determined from high resolution synchrotron and X-ray laboratory powder patterns. Crystallographic data at room temperature of Li

The BaAl4 Structure and its Derivatives from the R-Zn-Ga Systems

2012 ◽  
Vol 194 ◽  
pp. 5-9 ◽  
Author(s):  
Yuriy Verbovytskyy ◽  
Antonio Pereira Gonçalves
Keyword(s):  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
First Time

Seven new ternary RZn1+xGa3-x (R = Ce, Pr, Nd, Sm, Ho and Er) and R5Zn2Ga17 (R = Ce) phases are synthesized for the first time. Their crystal structures are solved on basis of X-ray powder diffraction data. The above mentioned compounds belong to the BaAl4 (space group I4/mmm) and Rb5Hg19 (space group I4/m) structure types. Details of the structure of the Ce5Zn2Ga17 compound and relationship with RZn2-xGa2+x (BaAl4 type) and R3Zn8-xGa3+x (La3Al11 type) are briefly discussed.

On racemic and L-malates: a comparison of their crystal structures

2004 ◽  
Vol 219 (2) ◽  
Author(s):  
Michel Fleck ◽  
Ekkehart Tillmanns ◽  
Ladislav Bohatý ◽  
Peter Held
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray

AbstractThe crystal structures of eight different L-malates have been determined and refined from single-crystal X-ray diffraction data. The compounds are the monoclinic (space groupIn addition, for all the compounds, powder diffraction data were collected, analysed and submitted to the powder diffraction file (PDF).

Cristobalite-Related Phases in the NaAlO2–NaAlSiO4 System. I. Two Tetragonal and Two Orthorhombic Structures

1998 ◽  
Vol 54 (5) ◽  
pp. 531-546 ◽  
Author(s):  
J. G. Thompson ◽  
R. L. Withers ◽  
A. Melnitchenko ◽  
S. R. Palethorpe
Keyword(s):  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Structure Type ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Modulation Wave ◽  
Wave Approach ◽  
The Ideal

The crystal structures of five new cristobalite-related sodium aluminosilicates with four different structure types from the system Na2−x Al2−x Si x O4, 0 ≤ x ≤ 1 [Na1.95Al1.95Si0.05O4, P41212, a = 5.2997 (6), c = 7.0758 (9) Å; Na1.75Al1.75Si0.25O4, Pbca, a = 10.4221 (11), b = 14.264 (3), c = 5.2110 (5) Å; Na1.65Al1.65Si0.35O4, P41212, a = 10.3872 (7), c = 7.1589 (8) Å; Na1.55Al1.55Si0.45O4, Pbca, a = 10.385 (1), b = 14.198 (3), c = 5.1925 (6) Å; Na1.15Al1.15Si0.85O4, Pb21 a, a = 10.214 (2), b = 14.226 (7), c = 10.308 (1) Å], have been refined by the Rietveld method from X-ray powder diffraction data. Plausible starting models were derived for the x = 0.05, 0.25 and 0.45 structures by analogy. Starting models for the x = 0.35 and 0.85 structures, with previously unreported structure types, were derived from a modulation wave approach based on distortion of the ideal C9 structure type and assuming regular SiO4 and AlO4 tetrahedra.

Rietveld refinement of the crystal structures of hexagonal Y6Cr4+xAl43−x (x=2.57) and tetragonal YCr4−xAl8+x (x=1.22)

1995 ◽  
Vol 10 (2) ◽  
pp. 86-90 ◽  
Author(s):  
R. Černý ◽  
K. Yvon ◽  
T. I. Yanson ◽  
M. B. Manyako ◽  
O. I. Bodak
Keyword(s):  
Crystal Structures ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

Y6Cr4+xAl43−x (x = 2.57); space group P63/mcm, a = 10.8601(1) Å, c = 17.6783(3) Å, V= 1805.7(1) Å3, Z=2; isostructural to Yb6Cr4+xAl43−x, (x=1.76) with two aluminium sites partially occupied by chromium (44% and 27% Cr). YCr4−xAl8+x (x=1.22); space group I4/mmm, a = 9.0299(2) Å, c = 5.1208(2) Å, V=417.55(3) Å3, Z=2, disordered variant of CeMn4Al8 with one chromium site (8f) partially occupied by aluminium (33% Al); X-ray powder diffraction data were collected on a well-crystallized multiphase sample containing 43 wt.% of Y6Cr4+xAl43−x, 27 wt.% of Y2Cr8−xAl16+x, 16 wt.% of Al, 13 wt.% of YAl3, and traces of Y2O3. Structure refinement converged at Rwp = 2.0% and RB = 3.5, 3.6% resp. for a total of 78 parameters and 1190 reflections.

scholarly journals Crystal structures of two magnesium citrates from powder diffraction data

2020 ◽  
Vol 76 (10) ◽  
pp. 1611-1616
Author(s):  
James A. Kaduk
Keyword(s):  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Density Functional ◽  
Powder Diffraction Data ◽  
Magnesium Citrate ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Cation Coordination ◽  
Citrate Anion

The crystal structures of magnesium hydrogen citrate dihydrate, Mg(HC6H5O7)(H2O)2, (I), and bis(dihydrogen citrato)magnesium, Mg(H2C6H5O7)2, (II), have been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. In (I), the citrate anion occurs in the trans, trans-conformation, and triply chelates to the Mg cation. In (II), the citrate anion is trans, gauche, and doubly chelates to the Mg cation. In both compounds the Mg cation coordination polyhedron is an octahedron. In (I), the MgO6 coordination polyhedra are isolated, while in (II), they share edges to form chains. Strong O—H...O hydrogen bonds are prominent in the two structures, as well as in the previously reported magnesium citrate decahydrate.

Crystal structures of the trifluoromethyl sulfonates M(SO3CF3)2 (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data

2006 ◽  
Vol 62 (3) ◽  
pp. 467-473 ◽  
Author(s):  
Robert Dinnebier ◽  
Natalia Sofina ◽  
Lars Hildebrandt ◽  
Martin Jansen
Keyword(s):  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Metal Salts ◽  
Double Layers ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Symmetry Relations

The crystal structures of divalent metal salts of trifluoromethyl sulfonic acid (`trifluoromethyl sulfonates') M(SO3CF3)2 (M = Mg, Ca, Ba, Zn, Cu) were determined from high-resolution X-ray powder diffraction data. Magnesium, calcium and zinc trifluoromethyl sulfonate crystallize in the rhombohedral space group R\bar3. Barium trifluoromethyl sulfonate crystallizes in the monoclinic space group I2/a(C2/c) and copper trifluoromethyl sulfonate crystallizes in the triclinic group P\bar1. Within the crystal structures the trifluoromethyl sulfonate anions are arranged in double layers with the apolar CF3 groups pointing towards each other. The cations are located next to the SO3 groups. The symmetry relations between the different crystal structures have been analysed.

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