Introduction to two-dimensional X-ray diffraction

2003 ◽  
Vol 18 (2) ◽  
pp. 71-85 ◽  
Author(s):  
Bob Baoping He
Keyword(s):  
Diffraction Pattern ◽  
Diffraction Data ◽  
Data Reduction ◽  
Data Interpretation ◽  
Phase Identification ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Texture Measurement ◽  
One Dimensional ◽  
X Ray

Two-dimensional X-ray diffraction refers to X-ray diffraction applications with two-dimensional detector and corresponding data reduction and analysis. The two-dimensional diffraction pattern contains far more information than a one-dimensional profile collected with the conventional diffractometer. In order to take advantage of two-dimensional diffraction, new theories and approaches are necessary to configure the two-dimensional X-ray diffraction system and to analyze the two-dimensional diffraction data. This paper is an introduction to some fundamentals about two-dimensional X-ray diffraction, such as geometry convention, diffraction data interpretation, and advantages of two-dimensional X-ray diffraction in various applications, including phase identification, stress, and texture measurement.

Algorithms of Two-Dimensional X-Ray Diffraction

MRS Advances ◽  
2016 ◽  
Vol 1 (26) ◽  
pp. 1921-1927
Author(s):  
Bob B. He
Keyword(s):  
Diffraction Pattern ◽  
Intensity Distribution ◽  
Structure Refinement ◽  
Azimuthal Angle ◽  
Bragg Angle ◽  
Phase Identification ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Diffraction Vector ◽  
X Ray

ABSTRACTX-ray diffraction pattern collected with two-dimensional detector contains the scattering intensity distribution as a function of two orthogonal angles. One is the Bragg angle 2θ and the other is the azimuthal angle about the incident x-ray beam, denoted by γ. A 2D diffraction pattern can be integrated to a conventional diffraction pattern and evaluated by most exiting software and algorithms for conventional applications, such as, phase identification, structure refinement and 2θ-profile analysis. However, the materials structure information associated to the intensity distribution along γ direction is lost through the integration. The diffraction vector approach has been approved to be the genuine theory in 2D data analysis. The unit diffraction vector used for 2D analysis is a function of both 2θ and γ. The unit diffraction vector for all the pixels in the 2D pattern can be expressed either in the laboratory coordinates or in the sample coordinates. The vector components can then be used to derive fundamental equations for many applications, including stress, texture, crystal orientation and crystal size evaluation.

X-ray powder diffraction data for Ba3MnSi2O8—A new phase in the system BaO–MnO–SiO2

1996 ◽  
Vol 11 (1) ◽  
pp. 26-27 ◽  
Author(s):  
Irena Georgieva ◽  
Ivan Ivanov ◽  
Ognyan Petrov
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Data Interpretation ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Phase

A new compound—Ba3MnSi2O8 in the system BaO–MnO–SiO2 was synthesized and studied by powder X-ray diffraction. The compound is hexagonal, space group—P6/mmm, a=5.67077 Å, c=7.30529 Å, Z=1, Dx=5.353. The obtained powder X-ray diffractometry (XRD) data were interpreted by the Powder Data Interpretation Package.

Computer Techniques for Faster X-Ray Diffraction Phase Identification

1983 ◽  
Vol 27 ◽  
pp. 21-26
Author(s):  
Raymond P. Goehner ◽  
Mary F. Garbauskas
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Phase Identification ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Storage Scheme

AbstractThis paper describes the procedures used to retrieve JCPDS powder diffraction data by certain characteristics. These characteristics may include chemistry, mineral name, highest intensity dspacing, largest dspacing, PDF number, etc. The storage scheme used for the powder data and the procedures used to enhance the retrieval speed are described.

scholarly journals A new one-dimensional NiIIcoordination polymer with a two-dimensional supramolecular architecture

2017 ◽  
Vol 73 (2) ◽  
pp. 192-195
Author(s):  
Kai-Long Zhong
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Sulfate Ions ◽  
Sulfate Anion ◽  
One Dimensional ◽  
X Ray ◽  
Distorted Octahedral ◽  
Metal Organic

A new one-dimensional NiIIcoordination polymer of 1,3,5-tris(imidazol-1-ylmethyl)benzene, namelycatena-poly[[aqua(sulfato-κO)hemi(μ-ethane-1,2-diol-κ2O:O′)[μ3-1,3,5-tris(1H-imidazol-1-ylmethyl)benzene-κ3N3,N3′,N3′′]nickel(II)] ethane-1,2-diol monosolvate monohydrate], {[Ni(SO4)(C18H18N6)(C2H6O2)0.5(H2O)]·C2H6O2·H2O}n, was synthesized and characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The NiIIcation is coordinated by three N atoms of three different 1,3,5-tris(imidazol-1-ylmethyl)benzene ligands, one O atom of an ethane-1,2-diol molecule, by a sulfate anion and a water molecule, forming a distorted octahedral NiN3O3coordination geometry. The tripodal 1,3,5-tris(imidazol-1-ylmethyl)benzene ligands link the NiIIcations, generating metal–organic chains running along the [100] direction. Adjacent chains are further connected by O—H...O hydrogen bonds, resulting in a two-dimensional supermolecular architecture running parallel to the (001) plane. Another water molecule and a second ethane-1,2-diol molecule are non-coordinating and are linked to the coordinating sulfate ionsviaO—H...O hydrogen bonds.

Synthesis, Structures and Magnetic Properties of a Family of One-Dimensional Oxides

1996 ◽  
Vol 453 ◽  
Author(s):  
H.-C. Zur Loye ◽  
P. Núñez ◽  
M. A. Rzeznik
Keyword(s):  
Magnetic Properties ◽  
Magnetic Susceptibility ◽  
Rietveld Refinement ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Magnetic Susceptibility Data ◽  
One Dimensional ◽  
X Ray ◽  
Susceptibility Data ◽  
The One

AbstractThe one-dimensional compounds Sr3MgPtO6, Sr3MgIrO6, Sr3MgRhO6, Sr3GdRhO6, have been synthesized and structurally characterized by Rietveld refinement of powder X-ray diffraction data. All four compounds are isostructural with the rhombohedral K4CdCl6-type structure. The structure consists of infinite one-dimensional chains of alternating face-shared MO6 octahedra (M = Pt, Ir, Rh) and M′O6 (M′ = Gd, Mg) trigonal prisms. The strontium cations are located in a distorted square antiprismatic environment. Magnetic susceptibility data show that both Sr3MgIrO6 and Sr3MgRhO6 obey the Curie-Weiss law with θ = −6(1) K, and θ= −15(3)K, respectively. Sr3GdRhO6 obeys the Curie law with μeff = 7.80 B.M, consistent with an oxidation state of +3 for both rhodium and gadolinium.

Description of Ba1 + x Ni x Rh1 − x O3 with x = 0.1170 (5) in superspace: modulated composite versus modulated-layer structure

2006 ◽  
Vol 62 (2) ◽  
pp. 197-204 ◽  
Author(s):  
Andreas Schönleber ◽  
F. Javier Zúñiga ◽  
J. Manuel Perez-Mato ◽  
Jacques Darriet ◽  
Hans-Conrad zur Loye
Keyword(s):  
Single Crystal ◽  
Diffraction Data ◽  
Room Temperature ◽  
Layer Structure ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray

The structure of the compound Ba1 + x Ni x Rh1 − x O3 [x = 0.1170 (5)] has been analyzed at room temperature within the (3 + 1)-dimensional superspace approach using single-crystal X-ray diffraction data. Two different models are presented, the compound is refined as modulated composite as well as modulated-layer structure. In both models discontinuous atomic domains are applied to describe the structural modulations. While the first approach stresses the pseudo-one-dimensional constitution, the latter highlights the layered character of these structures.

Two-Dimensional Neutral Framework Generated from Mixed Organic Ligands: Structure and Magnetic Properties

2012 ◽  
Vol 455-456 ◽  
pp. 735-739
Author(s):  
Rui Xin Chen ◽  
Ling Yan Xu ◽  
Chang Feng Sun
Keyword(s):  
Magnetic Properties ◽  
Hydrothermal Condition ◽  
Organic Ligands ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Magnetic Susceptibilities ◽  
One Dimensional ◽  
X Ray ◽  
Ferromagnetic Interactions ◽  
Cu Ions

A new two-dimensional neutral framework generated from mixed organic ligands [Cu3(1,2,4-BTC)2(4,4/-bipy)(H2O)4] (where1,2,4-BTC = 1,2,4-benzenetricarboxylate), has been prepared under hydrothermal condition and characterized by single crystal X-ray diffraction and magnetic susceptibilities. Its structure contains two different one-dimensional chains for the Cu ions, namely [Cu2(1,2,4-BTC)2]n2n-and [Cu (4,4/-bipy)]n2n+, respectively; the carboxylate of 1,2,4-BTC ligands links the two different 1-D chains into a interesting steplike supramolecular neutral framework, which exists ferromagnetic interactions between the copper centers.

A one-dimensional cobalt(II) coordination polymer based on 2,4′-oxydibenzoic acid: poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κO1]cobalt(II)]-μ-4,4′-bipyridine-κ2N:N′] dihydrate]

2014 ◽  
Vol 70 (7) ◽  
pp. 654-658 ◽  
Author(s):  
Long Tang ◽  
Feng Fu ◽  
Ji-Jiang Wang ◽  
Qi-Rui Liu ◽  
Hang-Hang Zhao
Keyword(s):  
Coordination Polymer ◽  
Hydrothermal Condition ◽  
Dimensional Chain ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
The One ◽  
Two Sides

The reaction of CoSO4with 2,4-oxydibenzoic acid (H2oba) and 4,4′-bipyridine (bipy) under hydrothermal condition yielded a new one-dimensional cobalt(II) coordination polymer, {[Co(C14H9O5)2(C10H8N2)(H2O)2]·2H2O}n, which was characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, magnetic properties and single-crystal X-ray diffraction. The CoIIions are connected by bipy ligands into infinite one-dimensional chains. The Hoba−ligands extend out from the two sides of the one-dimensional chain. O—H...O hydrogen bonding extends these chains into a two-dimensional supramolecular architecture.

scholarly journals Comment on ‘Multilayered Stable 2D Nano-Sheets of Ti2NTx MXene: Synthesis, Characterization, and Anticancer Activity’

2020 ◽  
Author(s):  
Yitong Guo ◽  
Qianku Hu ◽  
Libo Wang ◽  
Aiguo Zhou
Keyword(s):  
Anticancer Activity ◽  
Diffraction Pattern ◽  
Hydrofluoric Acid ◽  
Recent Article ◽  
Room Temperature ◽  
Max Phase ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray

<p>A recent article entitled “Multilayered stable 2D nano-sheets of Ti<sub>2</sub>NT<sub>x</sub> MXene: synthesis, characterization, and anticancer activity” published in this journal, claimed that two-dimensional Ti<sub>2</sub>NT<sub>x</sub> MXene could be synthesized by selectively etching Ti<sub>2</sub>AlN in concentrated hydrofluoric acid at room temperature. However, the X-ray diffraction pattern of Ti<sub>2</sub>NT<sub>x</sub> MXene reported in that paper is completely different with those of other MXenes. In this comment, it is argued that the samples synthesized in that paper were NOT Ti<sub>2</sub>NT<sub>x</sub> MXene at all. Although carbide MXenes can be made by selectively etching A layers from MAX phase, it is very difficult or impossible to make nitride MXenes (Ti<sub>2</sub>NT<sub>x</sub>) by the same way.</p>

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