Two examples of quantitative analysis by simulated X-ray powder diffraction patterns

Clay Minerals ◽  
1982 ◽  
Vol 17 (4) ◽  
pp. 393-399
Author(s):  
C. E. Corbato ◽  
R. T. Tettenhorst
Keyword(s):  
Quantitative Analysis ◽  
Pattern Matching ◽  
Powder Diffraction ◽  
X Ray ◽  
Quantitative Estimates ◽  
Powder Diffractometer ◽  
Alternative Method ◽  
Two Samples ◽  
Natural Mixture ◽  
Diffraction Patterns

AbstractQuantitative estimates were made by visually matching computer-simulated with experimental X-ray powder diffractometer patterns for two samples. One was a natural mixture of dickite and nacrite in about equal proportions. The second sample contained mostly quartz with corundum and mullite in small (0.5–1%) amounts. Percentages deduced from pattern matching agreed to within ±10% of the weight fractions of the components determined by an alternative method of analysis.

A method for quantitative mineralogical analysis by X-Ray powder diffraction

1960 ◽  
Vol 32 (249) ◽  
pp. 492-499 ◽  
Author(s):  
W. A. Mitchell
Keyword(s):  
Quantitative Analysis ◽  
Powder Diffraction ◽  
Internal Standard ◽  
Published Data ◽  
Intensity Scale ◽  
Mineralogical Analysis ◽  
X Ray ◽  
Diffraction Patterns

SummaryA method of quantitative analysis by photometry of X-ray powder diffraction patterns is described. Co-Kα radiation is used and absorption difficulties are overcome by using thin diluted specimens containing an internal standard. An arbitrary universal intensity scale has been established and the values for the stronger lines of a number of minerals are given. Within individual patterns these are consistent with published data obtained by counter diffractometry.

Chemical analysis by diffraction: the Powder Diffraction File™

2017 ◽  
Vol 32 (2) ◽  
pp. 63-71 ◽  
Author(s):  
T. G. Fawcett ◽  
S. N. Kabekkodu ◽  
J. R. Blanton ◽  
T. N. Blanton
Keyword(s):  
Quantitative Analysis ◽  
Solid State ◽  
Powder Diffraction ◽  
Embedded Software ◽  
Phase Identification ◽  
75Th Anniversary ◽  
Synchrotron Diffraction ◽  
Powder Diffraction File ◽  
X Ray ◽  
Diffraction Patterns

As we celebrate the 75th anniversary of the Powder Diffraction File, the PDF® is still a method for chemical and material analyses. The database and embedded software are designed to solve a range of solid-state material analysis problems that includes phase identification, quantitative analysis, crystallinity, and crystallite size measurements. A versatile platform allows users to interpret X-ray, electron, neutron, or synchrotron diffraction patterns for their analyses. Over several decades as diffraction hardware and software continued to improve, the International Centre for Diffraction Data continues to improve the methods and the PDF database, offering unprecedented analysis capabilities to the modern user.

Synchrotron X-ray studies of metal-organic framework M2(2,5-dihydroxyterephthalate), M = (Mn, Co, Ni, Zn) (MOF74)

2012 ◽  
Vol 27 (4) ◽  
pp. 256-262 ◽  
Author(s):  
W. Wong-Ng ◽  
J. A. Kaduk ◽  
H. Wu ◽  
M. Suchomel
Keyword(s):  
Powder Diffraction ◽  
Metal Organic Framework ◽  
National Laboratory ◽  
Argonne National Laboratory ◽  
Lattice Parameter ◽  
X Ray ◽  
Metal Organic ◽  
Sorbent Materials ◽  
Diffraction Patterns ◽  
Unsaturated Metal Sites

M2(dhtp)·nH2O (M = Mn, Co, Ni, Zn; dhtp = 2,5-dihydroxyterephthalate), known as MOF74, is a family of excellent sorbent materials for CO2 that contains coordinatively unsaturated metal sites and a honeycomb-like structure featuring a broad one-dimensional channel. This paper describes the structural feature and provides reference X-ray powder diffraction patterns of these four isostructural compounds. The structures were determined using synchrotron diffraction data obtained at beam line 11-BM at the Advanced Photon Source (APS) in the Argonne National Laboratory. The samples were confirmed to be hexagonal R 3 (No. 148). From M = Mn, Co, Ni, to Zn, the lattice parameter a of MOF74 ranges from 26.131 73(4) Å to 26.5738(2) Å, c from 6.651 97(5) to 6.808 83(8) Å, and V ranges from 3948.08 Å3 to 4163.99 Å3, respectively. The four reference X-ray powder diffraction patterns have been submitted for inclusion in the Powder Diffraction File (PDF).

Evaluation of Reference X-ray Diffraction Patterns in the ICDD Powder Diffraction File

1990 ◽  
Vol 34 ◽  
pp. 369-376
Author(s):  
G. J. McCarthy ◽  
J. M. Holzer ◽  
W. M. Syvinski ◽  
K. J. Martin ◽  
R. G. Garvey
Keyword(s):  
Powder Diffraction ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Cd Rom ◽  
X Ray ◽  
Binary Oxides ◽  
Diffraction Patterns ◽  
Input Format ◽  
Good Agreement

AbstractProcedures and tools for evaluation of reference x-ray powder patterns in the JCPDSICDD Powder Diffraction File are illustrated by a review of air-stable binary oxides. The reference patterns are evaluated using an available microcomputer version of the NBS*A1DS83 editorial program and PDF patterns retrieved directly from the CD-ROM in the program's input format. The patterns are compared to calculated and experimental diffractograms. The majority of the oxide patterns have been found to be in good agreement with the calculated and observed diffractograms, but are often missing some weak reflections routinely observed with a modern diffractometer. These weak reflections are added to the PDF pattern. For the remainder of the phases, patterns are redetermined.

The X-Ray Powder Diffraction Patterns and Crystal Structure for Al2M3Y(M=Cu, Ni)

2014 ◽  
Vol 950 ◽  
pp. 48-52
Author(s):  
De Gui Li ◽  
Ming Qin ◽  
Liu Qing Liang ◽  
Zhao Lu ◽  
Shu Hui Liu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Hexagonal Structure ◽  
Argon Atmosphere ◽  
X Ray Diffraction ◽  
High Quality ◽  
X Ray ◽  
Arc Melting ◽  
Diffraction Patterns

The Al2M3Y(M=Cu, Ni) compound was synthesized by arc melting under argon atmosphere. The high-quality powder X-ray diffraction data of Al2M3Y have been presented. The refinement of the X-ray diffraction patterns for the Al2M3Y compound show that the Al2M3Y has hexagonal structure, space groupP6/mmm(No.191), with a = b = 5.1618(2) Å, c = 4.1434(1) Å,V= 95.6 Å3,Z= 1,ڑx= 5.7922 g/cm3,F30= 155.5(0.0057, 34), RIR = 2.31 for Al2Cu3Y, and with a = b = 5.0399(1) Å, c = 4.0726(1) Å,V= 89.59 Å3,Z= 1,ڑx= 5.9118 g/cm3,F30= 135.7(0.0072, 30), RIR = 2.54 for Al2Ni3Y.

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