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A Resource Page for X-Ray Diffraction

This page is divided into five sections: Local Resources for Lab Users (a new section), Crystallography and X-Ray Diffraction Tutorials, Radiation Safety Information and Tutorials, Crystallography and XRD Links, and Links to Vendor Web Sites. Some documents require the use of Adobe Acrobat Reader which may be downloaded free from Adobe Corporation.

Note: For ease in reading, navigating and printing pages linked here, each of the links below will open in a new web browser window. To get back to this links page when you are done, just close your browser window and you will find this one below it.

Local Resources for E&PS XRD Lab Users

MDI Jade 6.5 Help (in Adobe Acrobat Format)
The Windows Help file information accessible from the operator's console in Jade 6.5 converted into Acrobat PDF files with a Web-page index. Jade 6.5 is an incredibly powerful program, but a difficult one to learn about without some significant "offline" study. This is provided for that purpose. This is not openly acessible to users outside of our department. To access this index and the files you must enter your E&PS network account username and password when you click on the link.
XRD Laboratory DataScan 4 "Cookbook"
Adobe Acrobat PDF copy of the step-by-step "cookbook" for using the Scintag PAD V system in our laboratory, revised with information for the newest DataScan 4 version installed in April, 2005.
Using Yahoo Calendars to Schedule Lab Time
Adobe Acrobat PDF document that explains how to use Yahoo's online calendar system to schedule the Scintag PAD V diffractometer for use. The password for the account must be obtained personally (or via Email) from Jim Connolly.
Introduction to X-Ray Powder Diffraction Course Information
Every other "odd" year in the Spring we offer a 3 credit course that is an introduction to XRD for students who plan to use the laboratory or just want to learn how to do X-ray powder diffraction. This course page may be used to link to course materials (primarily Acrobat PDF documents) for lab users who want to improve their XRD skills.
Using the BICO Jaw Crusher
The BICO Jaw crusher is used to reduce rock specimens from fist-sized to few-mm-sized granules. This Adobe Acrobat PDF document explains how to use it.
Using the SPEX Shatterbox
The SPEX Shatterbox is used to reduce coarsely ground (few-mm-sized) granules to a fine powder for chemical analysis or XRD. This Adobe Acrobat documents explains its use in detail, and includes tables of maximum and minimum amounts of material used in the different size and type of shatterbox containers. This equipment is located in the Geochemistry lab (Rm 213) in Northrop Hall and acces is controlled by Dr. Abdul Mehdi-Ali (mehdiali@unm.edu -- Phone 277-1637)
Using the Retch-Brinkman Micro-Rapid Mill
The Micro-Rapid Mill is an automated agate mortar and pestle system that can be used to reduce powders to under 10 microns by non-percussive grinding under water, alcohol or acetone. While this Adobe Acrobat documents explains its use in detail, to avoid damage to the equipment or your sample, it should not be used without personal one-on-one training from the Lab manager. Located in the XRD Lab (Room B-25 of Northrop Hall).

X-Ray Diffraction and Crystallography Tutorials

Matter Online Tutorial on Diffraction
Excellent interactive tutorial on all aspects of diffraction phenomena, with a section on XRD. Produced by a non-profit consortium of Materials Science departments in Universities in the UK. Highly recommended.
Interactive Course on Symmetry and Analysis of Crystal Structure by Diffraction
Brief but fairly thorough Introduction to the diffraction of X-rays by crystalline materials. Makes extensive use of web-interactive visual aids.
X-Ray Diffraction Online Tutorial
Very mathematical tutorial from The University of Würtzberg in Germany on the theoretical basis of crystallography and crystal physics in the context of X-ray Diffraction processes. Good illustrations show how structural variations and specimen differences are manifested in the resultant data.
Scintag XRD Basics (Acrobat PDF Document)
An introductory tutorial from Scintag (the producers of our diffractometer) is a good basic introduction to Bragg diffraction and powder diffractometry, and some of the advanced capabilities of XRD as an analytical technique.
Laboratory Manual for X-Ray Powder Diffraction
U. S. Geological Survey Open-File Report 01-041 is an introduction to X-ray diffraction primarily concerned with the analysis of clay minerals. Contains an intro to XRD and very extensive specimen preparation procedures for laboratory analysis.
Bragg's Law and Diffraction
This introduction to Braggs Law Diffraction features a Java applet which simulates coherent and incoherent scattering. The user specifies the incident wavelength (lamda), d-spacing (distance), and incident angle (theta) and the simulator shows the coherence (or lack of coherence) of the diffracted beam as a detector intensity.
Crystal Symmetry Groups (Adobe Acrobat PDF Document)
A very good short introduction to crystal symmetry by Robert B. Von Dreele of Los Alamos National Laboratory.
IUC Teaching Pamphlets Home Page
The International Union of Crystallographers has put together an excellent set of online tutorials for Diffraction and Crystallography which run from very basic to very advanced.
Crystallography 101
A comprehensive and somewhat advanced (and frequently very mathematical) online tutorial crystallography tutorial from Lawrence Livermore National Lab. The emphasis is on characterization of organic molecules by single crystal techniques but the information is generally applicable to all types of X-ray crystallography.
X-ray Radiology Tutorial
This is comprehensive online tutorial about the field of X-ray radiology. While it contains nothing about x-ray diffraction, it includes excellent sections aboutthe generation of x-rays and their interaction with matter. The tutorial makes extensive use of very nifty Java aplets (usually requiring the additon of Sun Java 2 software to your system). Produced by the North Central Collaboration for Education in Nondestructive Testing, a joint project of four midwest colleges and Iowa State University.
 

Radiation Safety Information and Tutorials

Radiation Safety for X-Ray Diffraction and Fluorescence Analysis Equipment
NBS Handbook 111 is an old but still valid resource summarizing the principles of radiation safety for X-ray diffraction and fluoresence laboratories.
Radiation Safety Guide for Users of Analytical X-Ray Systems
Well written, concise guide to radiation safety for analytical X-ray systems produced by the Indiana University radiation safety officer.
Hazards in the Use of X-Ray Analytical Instrumentation (Acrobat PDF Document)
The classic 1973 paper by Jenkins and Haas is a must-read for anyone who wants to understand the hazards associated with XRD and what to do to mitigate them in the lab.
Univ. of Illinois Radiation Safety Tutorial
Up until very recently, this link went to a publicly accessible tutorial concerned with radiation safety for X-ray Diffraction users produced by the University of Illinois, Champaign Urbana, Radiation Safety Office. Access (for some reason unknown to me) has recently been restricted to UIC personnel by username/password login, making it inaccessable to outside users. This no longer a public resource.

Crystallography and XRD Links

Clay Minerals Society Links Page
A very extensive set of links which is slanted towards the analysis of clay minerals but also includes lots of more general crystallography, crystal chemistry, X-ray diffraction links and geological links. There are links to some great Earth Science sites here (and Dilbert too). Maintained by Steve Chipera of Los Alamos National Lab.
Crystallography Journals Online
Online versions of all journals published by the International Union for Crystallography. Journals of interest include Applied Crystallography, Crystal Structure Communications, and Foundations of Crystallography. Some articles from the current issues may be available online, but access to more than short summaries reqiures and online subscription.
Crystallograpy Worldwide Index
IUCr-maintained page provides extensive links to other crystallography resources, software, hardware, vendors and lots of other stuff.
Silicon Valley X-ray Site
An independently maintained site sponsored by a number of XRD vendors, which provides up-to-date links, news and invited technical articles concerned with X-ray diffraction and other types of X-ray imaging.

Links to Vendor Websites

Scintag, Inc.
Scintag, Inc., the manufacturer of our diffractometer, no longer exists. After several purchases and corporate aquisitions Scintag has disappeared into ThermoARL and the diffractometer is in what was the former ARL Swiss facility. I have left this link here as a curiosity.
Bruker-AXS
Siemens Analytical XRD division was acquired by Bruker, and spun off as it's own division, Bruker-AXS. Web site does not contain a lot of useful links, aside from recent company news and contact telephone numbers for sales and service.
Compass Engineering
Anyone who has and has used a Scintag system will tell you how solid and reliable they are and how difficult it is to get them repaired on the rare occasions when they break. These guys are the Scintag rescue crew. Compass Engineering was formed by the former head of Thermo's service group in the U.S. and includes many engineers who worked for Scintag before it was acquired (absorbed?, consumed?, etc.) by Thermo. An invaluable very professional resource for folks who like their Scintag systems and want to keep them functioning.
INEL
INEL manufacturers unique very large aperture (90-120 degrees) curved position-sensitive detectors and associated electronics enabling the creation of diffractometers with extremely rapid data collection capabilities and virtually no moving parts. They also make a line of goniometers and diffractometer systems that incorporate these innovative detectors, or can work with clients to adapt their detectors to existing diffractometer systems. .
PANalytical
PANalytical is the new incarnation of technology giant Philips' XRD division. They still make some of the best X-ray tubes around and have been doing it for a long time, and their systems are considered by most to be the most reliable and well supported around. This site has information about products, contacts, training courses available, and company news releases, but little in the way of other useful links outside the company.
Rigaku
Rigaku primarily makes XRF and XRD systems. They have a variety of systems available for powder, thin film and single crystal XRD. Their inexpensive Miniflex desktop-sized system is a fast and reliable machine for quickly analyizing powders where very high-resolution data are not required. While most of the site is concerned with product information and company contacts, the Rigaku Journal is contains many useful technical articles about XRD and XRF and Adobe Acrobat PDF format.
McCrone Micronizing Mill
This device is considered by everyone who needs to have uniform powders under 1 micron in size as the most important piece of sample prep equipment that they own. There are other devices that will make fine powders, but this one does it non-percussively and with minimal chance for operator error messing up the sample. Unfortunatly we don't own one yet, but we want one and this link is the equivalent of putting a picture of something you want on your referigerator door. Any lab that wants to do routing quantitiative analyses wants to spend the approximately $7K that it costs to own one of these. .
Materials Data, Incorporated
Materials Data (MDI) makes the software which we use for collecting and analyzing our diffractometer data, including Datascan, Jade and Shadow 4.0. The Datascan and Databox software can be used to directly operate many diffractometers, which is particularly good for upgrades of older equipment which is not well supported by the original vendor. In the world of very expensive software, their costs are very reasonable (but not low by any means). The site contains very limited information about their products and contact information.
GBC Scientific
GBC Scientific (of Australia) both automates older diffractometers and manufactures economical compact desk-top new instruments. Old systems (including very old Philips goniometers) can be made to produce new data for a fraction of the price of a new instrument. The software used with upgrades includes "Visual XRD" system control, and "Traces" for analysis of data. Both are 32-bit programs and access standard databases (including the PDF-4). GBC, who also manufactures other types of analytical equipment, acquired "Diffraction Technology" in 2001, and is continuing the development and marketing of their products.
International Center for Diffraction Data
ICDD is a non-profit corporation which produces the JCPDS Power Diffraction File (PDF) which is the standard database for X-ray Powder Diffraction Data for natural and synthetic materials. The PDF has recently been greatly expanded and upgraded to a fully relational database format making it possible to include a wealth of information not available in the older flat-file version of the database. Their site contains product information, information about training sessions, and links to information about the annual "Denver X-Ray Conference" that the ICDD puts on every year in early August. The "Resources" pages contain some very useful XRD-related links. Their vendor links page (http://www.icdd.com/products/vendors.htm) is a very comprehensive worldwide source list for X-ray Diffraction hardware, software and accessories.


Updated September 7, 2007. Please send comment about (and suggested additions to) this page to connolly@unm.edu.


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