Mineralogy Database

Mineralogy Database

Chemistry online Resources

Link - http://www.webmineral.com/

"Mineral data for individual species are linked to mineral tables by crystallography, crystal structures, X-Ray powder diffraction, chemical composition, physical and optical properties, Dana's New classification, Strunz classification, mineral specimen images, and alphabetical listings of mineral species. There also are extensive links to other external sources of mineral data and information"[1].
1.http://www.webmineral.com/

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XRayView

XRayView - Chemistry Software

Chemistry online Resources

XRayView, G. N. Phillips Lab, supported by W. M. Keck Foundation. a Teaching Aid for X-ray Crystallography

XRayView : A Virtual X-Ray Crystallography Laboratory

Link - http://phillips-lab.biochem.wisc.edu/software.html

"This software uses interactive computer graphics to introduce basic concepts of X-ray diffraction by crystals, including the reciprocal lattice, the Ewald sphere construction, Laue cones, the wavelength dependence of the reciprocal lattice, primitive and centered lattices and systematic extinctions, rotation photography, Laue photography, space group determination and Laue group symmetry, and the alignment of crystals by examination of reciprocal space.

XRayView is designed with "user-friendliness" in mind, using Motif style, pull-down menus to control the program. Many of the experiences of using real X-ray diffraction equipment to examine crystalline diffraction can be simulated. Exercises are available on-line to guide the users through typical X-ray diffraction experiments"[1].
1.http://phillips-lab.biochem.wisc.edu/software.html

XRayPlot

Link - http://phillips-lab.biochem.wisc.edu/software.html

"XRayPlot allows plots of arbitrary planes of diffraction data given the space group symmetry, the unit cell dimensions, and a list of intensities or structure factor amplitudes with their associated hkl indices"[1].
1.http://phillips-lab.biochem.wisc.edu/software.html

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Crystal structure analysis

Crystal structure analysis

Chemistry online Resources

Internet Course: Structure Determination by Powder Diffractometry (SDPD), Universite du Maine, France. Learn how to determine a crystal structure from powder diffraction data with experts help

Link - http://sdpd.univ-lemans.fr/course/index.html

The SDPD (Structure Determination by Powder Diffractometry) Internet Course is accomplished in 10 sessions, exclusively on Internet and asynchronous. Students are expected to work at least 8 hours per week on the documents and exercises sent by e-mail. The diploma is attributed after a final examination consisting in the structure determination of an unknown compound in 2 weeks.

Various teaching material prepared by A. D. Hunter, A. D. Hunter. Includes a student friendly lab manual on using the SHELXTL (and to a lesser extent SHELX) package of single-crystal programs to solve routine crystal structures. Also available at http://www.as.ysu.edu/~adhunter/YSUSC/index.html

Link - http://www.as.ysu.edu/~adhunter/Teaching/Chem832/index.html

Practical Guide to Solving Single Crystal Structures, Manuel A. Fernandes. Guide to solving crystal structures using WinGX together with other well know crystallographic packages such as Platon and Mercury

Link - http://www.gh.wits.ac.za/manuel/solving-xtals/

"This webpage hosts a guide to solving crystal structures using WinGX together with other well know crystallographic packages such as Platon and Mercury. Currently Chapter 1 (describing the theory behind crystallography at a very basic level) is missing and will be added later. This was however covered in the lectures and can be found in any crystallography text book. In addition, a fifth chapter describing the structure solution of disordered structures still has be added"[1].
1.http://www.gh.wits.ac.za/manuel/solving-xtals/

Analytical Inorganic Organic Physical

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Mathematical techniques in Powder diffraction

Mathematical techniques in Powder diffraction

Chemistry online Resources

Pepinsky's Machine, N. M. Glykos. A teaching aid to illustrate the principles and the application of the Fourier series in crystallography

Link - http://utopia.duth.gr/~glykos/pepinsky.html

• "Pepinsky's Machine is free software and you are encouraged to use, copy, modify, and distribute both the program and its documentation (PDF, 1.1 MBytes).


• If you ever need to reference this program in your publications (but note that you are not required -at least by me- to do so), please use the following citation : Glykos, N.M. (1999), "Pepinsky's Machine : an interactive, graphics-based Fourier synthesis program with applications in teaching and research.", J. Appl. Crystallogr., 32, 821-823.
  Electronic reprint (660 KBytes) : Local copy, or directly from J. Appl. Cryst. 32, 821-823, FREE ITEM, Copyright © International Union of Crystallography"[1].
  

1.http://utopia.duth.gr/~glykos/pepinsky.html

Statistical Descriptors in Crystallography, D. Schwarzenbach et al. Reports of a working group appointed by the IUCr Nomenclature Committee

Link - http://ww1.iucr.org/comm/cnom/statdes/preface.html

This document provides an authoratitive statement of the use of statistics in crystallography. The document contains a Glossary of statistical terms and sections on the following topics:

• Basic notions
• Uncertainty of measurement
• Refinement
• Refinement on I, |F|² or |F|?
• Defects in the model
• Weighting schemes
• Recommendations

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Worked examples in the Geometry of Crystals - PDF Book

Worked examples in the Geometry of Crystals - PDF Book

Chemistry online Resources

Worked examples in the Geometry of Crystals, H. K. D. H. Bhadeshia. The book deals with the mathematical crystallography of materials. It is intended for use by students and by anyone interested in phase transformations or interfaces.

Link - http://www.msm.cam.ac.uk/phase-trans/2001/crystal.html

Worked examples in the Geometry of Crystals, the 2nd edition, published in 2001 (updated 2006), is now available for free download from this site.

Other Free PDF Books In this site

• Crystal Plasticity
• Bainite
• α'+α_b
• Alloying

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Powder diffraction - Crystallography

Powder diffraction - Crystallography

Chemistry online Resources

Advanced Certificate in Powder Diffraction on the Web, Birkbeck College, University of London.

Link - http://pd.chem.ucl.ac.uk/pd/welcome.htm

"As a result of the transfer of the Industrial Materials Group in the School of Crystallography, Birkbeck College, London (BBK) to the Department of Chemistry, University College, London (UCL), it has been decided to make the contents of this course openly available given the different emphasis in teaching methods at UCL. Consequently, the course material is now hosted on http://img.chem.ucl.ac.uk/"[1].
1. http://pd.chem.ucl.ac.uk/pd/welcome.htm

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Symmetry

Symmetry

Chemistry online Resources

Escher Web Sketch, W. Hardecker and G. Chapuis. A program for drawing 2D periodic patterns with a web browser.

Link - http://www.iucr.org/education/resources/edu_2008_2

Escher Web Sketch allows you to draw repeating patterns. You can select the symmetry of the patterns by clicking on one of the icons in the bar above the drawing area. The drawing tools are selected from the icon bar under the drawing area. You can also change the pattern size and placement with the Modify cell button. The right hand side of the drawing area is reserved for each drawing tool's usage. Typically it changes the pen size and color.

An Interactive Course on Symmetry and Analysis of Crystal Structure by Diffraction, G. Chapuis and W. Hardecker.
Link - http://escher.epfl.ch/eCrystallography/1.html

An interactive course, freely available on Internet for the presentation of basic crystallography concepts

Discovering Symmetry, Nicolas Schoeni and Gervais Chapuis. An applet to discover the point group symmetry of platonic and other polyhedra

Link - http://www.iucr.org/education/resources/edu_2008_54

Point groups and Bravais Lattices, Marc De Graef.

Link - http://www.iucr.org/education/resources/edu_2008_55

Symmetry and Space Group Tutorial, Jerry P. Jasinski and Bruce M. Foxman.

Link - http://www.iucr.org/education/resources/edu_2008_57

Symmetry Tutorial, Dean H. Johnston, Otterbein College. Includes a symmetry challenge and symmetry gallery

Link - http://symmetry.otterbein.edu/

Welcome to the world of symmetry! The resources contained within this web site are designed to help students learn concepts of molecular symmetry and to help faculty teach concepts of molecular symmetry. The materials are designed for a variety of levels, so look around and see what we have to offer. Choose from the following pages:


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Crystallography Open Database

Crystallography Open Database

Chemistry online Resources

Link - http://www.crystallography.net/index.php

All data on this site have been placed in the public domain by the contributors

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