Structural Characterization of Industrially Relevant Polymorphic Materials from Powder Diffraction Data

2003 ◽  
Vol 7 (6) ◽  
pp. 970-976 ◽  
Author(s):  
Kenneth D. M. Harris ◽  
Eugene Y. Cheung
Keyword(s):  
Powder Diffraction ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Polymorphic Materials

A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates

1997 ◽  
Vol 53 (2) ◽  
pp. 203-220 ◽  
Author(s):  
R. L. Withers ◽  
C. Lobo ◽  
J. G. Thompson ◽  
S. Schmid ◽  
R. Stranger
Keyword(s):  
Powder Diffraction ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Structure Type ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Modulation Wave ◽  
Wave Approach ◽  
The Ideal

The crystal structures of three new cristobalite-related sodium magnesiosilicates [Na2MgSiO4, M r = 162.37, orthorhombic, Pna21, a = 10.835 (5), b = 5.279 (12), c = 7.067 (8) Å, D x = 2.668 g cm−3, Z = 4, Cu Kα, λ = 1.5418 Å, μ = 75.96 cm−l, F(000) = 319.87; Na1.74Mg0.79Al0.15Si1.06O4, M r = 157.02, orthorhombic, Pbca, a = 10.487 (7), b = 14.351 (4), c = 5.243 (6) Å, D x = 2.643 g cm−3, Z = 8, Cu Kα, λ = 1.5418 Å, μ = 76.70 cm−l, F(000) = 619.04; Na1.8Mg0.9Si1.1O4, M r = 158.15, tetragonal, P41212, a = 5.330 (6), c = 7.086 (5) Å, D x = 2.609 g cm−3, Z = 2, Cu Kα, λ= 1.5418 Å, μ = 75.44 cm−l, F(000) = 155.94] are determined by Rietveld refinement from X-ray powder diffraction data. Plausible starting models were derived from a modulation wave approach based on the ideal C9 structure type and assuming regular SiO4 and MgO4 tetrahedra.

Synthesis and X-ray powder diffraction study of the elpasolite Cs2NaCeCl6

1995 ◽  
Vol 10 (4) ◽  
pp. 241-242 ◽  
Author(s):  
R. Acevedo ◽  
V. Poblete
Keyword(s):  
Diffraction Study ◽  
Powder Diffraction ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

The synthesis at 850 °C and the structural characterization of the elpasolite structure compound Cs2NaCeCl6 is reported space group Fm3m, a = 10.943(2) Å, V = 1310.4 (Å)3, Z = 4, M = 641.64, Dx = 3.252, and Dexp = 3.21. Powder diffraction data from a Rietveld structure refinement, are reported.

Structural characterization of form I of anhydrous rifampicin

CrystEngComm ◽  
2014 ◽  
Vol 16 (36) ◽  
pp. 8555-8562 ◽  
Author(s):  
Amanda Laura Ibiapino ◽  
Rafael Cardoso Seiceira ◽  
Altivo Pitaluga ◽  
Antonio Carlos Trindade ◽  
Fabio Furlan Ferreira
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Crystal Morphology ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Good Agreement

Crystal structure determination of form I of anhydrous rifampicin by X-ray powder diffraction data. Crystal morphology prediction revealed a good agreement with the images of the crystals.

Synthesis and Characterization of Ba2Cu3PrO7−x

1987 ◽  
Vol 99 ◽  
Author(s):  
J. Amador ◽  
C. Cascales ◽  
I. Rasines
Keyword(s):  
Least Squares ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Least Squares Method ◽  
Structural Data ◽  
Synthesis And Characterization ◽  
Powder Diffraction Data ◽  
Interatomic Distances ◽  
X Ray

ABSTRACTPolycrystalline black coloured Ba2Cu3PrO7−x is prepared from a mixture of analytical grade BaO2, CuO, Cu metal, and Pr 2O3 (2 : 2 : 1 : 0.5), which are ground, pelletized, and heated in evacuated quartz ampoules at 1273 K for 4 days, and then slowly cooled.X-ray powder diffraction data show that Ba2Cu3PrO7−x is orthorhombic, a = 3.823(2), b = 3.877(2), c= 11.793(5) Å, space group Pmmm (no. 47), Z = 1. The structure of Ba2Cu3PrO7−x is refined from 37 reflections by using a least-squares method up to Rc = 0.044 and Rw = 0.041. Structural data and main interatomic distances are given.

scholarly journals Powder X-ray characterization of djenkolic acid

2001 ◽  
Vol 16 (1) ◽  
pp. 46-47
Author(s):  
Petr Melnikov ◽  
Alexandre Cuin ◽  
Pedro P. Corbi ◽  
Maurício Cavicchioli ◽  
Antonio C. Massabni
Keyword(s):  
Amino Acid ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Natural Amino Acid ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Parameters ◽  
Orthorhombic Cell ◽  
Djenkolic Acid

X-ray powder diffraction data for the orthorhombic natural amino acid djenkolic acid, C7H14N2O4S2, is described in this paper. The orthorhombic cell parameters are: a=8.12 Å, b=12.16 Å, and c=5.38 Å

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