New Crystalmaker Software Suite for 2021

The Crystalmaker Software suite is available for download for students and staff at Georgia Tech! The crystalmaker suite will enable you to create crystal models, simulate XRD patterns, and generate CIFs. For the codes, please contact David Tavakoli ( from a GT email address.

Rigaku Virtual Conference on XRD and XRF August 4-6!

Rigaku will be hosting a virtual conference on XRD and XRF this week that is free to register here!

Due to the COVID-19 induced cancellations of the Microscopy & MicroAnalysis, Denver X-ray, and American Crystallographic Association physical conferences this summer, Rigaku will be live webcasting a 3-day virtual Analytical X-ray Convention from our laboratory facility in Texas. The webcasts will take place Tuesday 8/4 – Thursday 8/6 and will feature live seminars on X-ray techniques and live instrument demonstrations.

Enjoy the presentations on Channel 1 (XRD), Channel 2 (XRF) and Channel 3 (X-ray Microscopy), and make sure to stop by our Concierge Booth on Channel 4 to say hello, live video chat, and participate in some fun events. We will be announcing upcoming Channel 4 events on the channel itself and via our Rigaku twitter feed (@rigaku, hashtag #RAXC2020), which you can view see on the right to keep up to date with what is going on.

Check the starting times for each day in the program, as different channels have different starting times. All four channels will be broadcast simultaneously and you can move among the four booths using the channel links.

Note that the three guest presentations—to be given by Rigaku sponsors—will all take place on channel 3. This has been updated on the program schedule.

Webinar: Focus on Battery Research: Studying Battery Cathode Materials Using X-Ray Diffraction

Tuesday, April 22: 10:30-11:30AM.

The cathode in a lithium-ion battery undergoes unique electrochemical reactions as lithium enters and leaves the atomic structure of the intercalated lithium compound. The intricacies of this reaction are one source of degradation and, therefore, an opportunity to improve performance. X-ray diffraction and scattering is well-suited to study these atomic phase changes, as well as a tool to understand and optimize the pathways that lithium uses to move through the cathode. However, studying battery materials requires special considerations that are different than the routine powder diffraction measurement.

This webinar, hosted by Malvern PANalytical will review the information that X-ray diffraction and scattering provides and discuss special considerations for experimental design such as selecting an X-ray tube, measurement geometry, and sample holder. We will then show examples of how these considerations are applied to cathode material analysis, including Rietveld refinement to quantify phase mixtures and atomic structure, pair distribution function analysis to examine local structural defects, and phase analysis of thick (10mm) commercial pouch cells, and in operando analysis of LFP based batteries to track phase changes during discharge and charging.

You can sign up for it here.


Dr. Scott Speakman – Principal Scientist Malvern Panalytical
and Dr. Reeves-McLaren of The University of Sheffield

More information

– Who should attend?
Those working within the field of battery research or manufacturing or anyone interested in X-ray Diffraction of materials.
– What will you learn?
You will be educated on the X-ray diffraction and scattering application of lithium-ion batteries, including: Electrochemical reactions and atomic phase changes, with discussion on the special considerations needed for this application.


SingleCrystal for Mac and Windows is now released!

The client for SingleCrystal is now out of Beta and available for GT users! If you would like the license, please send an email to from your GT mailing address!

As a reminder, all of the Crystalmaker software suite is available for Georgia Tech and we hope that you are well, safe, and healthy!

From the classroom to the laboratory to the synchrotron: SingleCrystal is the easiest way to visualize and understand diffraction properties of crystals. SingleCrystal 4 lets you simulate multi-phase X-ray, neutron and electron diffraction patterns, display reciprocal lattice sections and construct stereographic projections of planes or vectors. By combining a simulated pattern with an observed diffraction image, you can auto-index the pattern and determine the orientation of your crystal.

Webinar – XRD Masterclass 1 – Characterization Of Amorphous API

Webinar from Malvern PANalytical – XRD Masterclass 1 – Characterization Of Amorphous API 

Small molecule drug products often face multiple development challenges, common amongst which are those relating to solubility, stability and manufacturability.

The Developability Classification System (DCS) provides useful guidelines for selecting a formulation technology, based on assessment of the drug’s fundamental properties and dose expectations. APIs which fall under Class 1 (good solubility, good permeability) were discovered and delivered to the market early on.

Nowadays, the majority of small molecule drug candidates are poorly soluble and belong to Class 2 (a & b). For these molecules, solid-form screening and new formulation types are required to create competitive pharmaceutical products.

In the search for more soluble or bioavailable forms, different types of drug formulations are being  considered, including nanoparticles, amorphous solid dispersions, co-crystals and drug carrier systems. In this webinar, we’ll focus on amorphous formulations and address the following questions:

• Are amorphous compounds which are obtained in different experimental conditions the same?
• Are they free of nano-crystalline material and are they truly amorphous?
• What are the best ways of quantifying low and high amorphous content?
• How we can we use X-ray diffraction to answer these, and more, questions?

The MCF will be playing this webinar in the MCF Lobby but if you would like to register for this and watch it on your own computer, you can register here.

Date: February 20 2020

Time: 10:30 – 11:30

Crystalmaker Software Suite for 2020

The MCF has renewed the site license for the Crystalmaker Software Suite (Crystal Maker, Single Crystal, Crystal Diffract)

For more information about what the software is capable of, please visit the company website here.

OIT has updated their website with the new codes for 2020 but you can also email David.Tavakoli at from a gatech email address for them as well.

Webinar – Malvern PANalytical demonstration of Empyrean Series 3

The MCF will be showing a webinar on the new Malvern PANalytical Empyrean in the lobby tomorrow, Wednesday, December 18, 2019 from 10:30-11:30AM,


Join us for a demonstration of the New Empyrean 3rd generation X-ray diffractometer. Like no other system available, the Empyrean is designed for now, and for years to come. A fully automated series of 6 samples will be demonstrated using several different measurements types, including reflection geometry, SAXS, 2D transmission, texture, residual stress, thin film reflectivity, and grazing incidence XRD. The Optics enable the analyst a large variety of measurements without manual intervention. The predefined batch function with data collector has the programming power to switch between measurement types seamlessly. The world of materials science is constantly changing and the life of a high performance diffractometer like the Empyrean 3rd generation will deliver results that save time and effort,as well as, ensure accuracy of the experimental set up.


  • Who should attend?

– Anyone interested in XRD and the innovation of the floor standing X-ray diffraction platform


If you wish to watch this demonstration at your own desk or elsewhere, you can register for it here.

MCF is adding another XRD!

X-Ray Diffraction (XRD) is a powerful tool to look at crystals for characterizing microstructural and crystallographic properties of powders, thin films, fibers and other solid materials. The MCF has recently added another XRD, a Malvern PANalytical MPD to its capabilities. This XRD has a flat sample stage (default) for the analysis of powders and small solids, a non-ambient stage capable of running from -196C-450C, and a reflectivity stage. It should be on SUMS no later than 8/12/2019!

Image result for ford xrd gatech

A Day In The Life of an XRD!

The Malvern PANalytical Empyrean in the MCF was featured prominently in a story recently posted online!

Many thanks to Neha Kondekar and Xenia Wirth as well as the MSE 2021 class for agreeing to participate!

If you would like to see the blog post, you can see it here!

The core facility for materials analysis at Georgia Tech is the IEN/IMat Materials Characterization Facility (MCF). The MCF is available to academic, industry and government users; it merges several labs on Georgia Tech’s campus and offers a variety of microscopy and characterization tools as well as skilled research staff to support research needs. Offering 24-hour a day shared-user access to the latest in imaging and analysis technology, and operated on a fee rate schedule, the MCF facility provides services for researchers including equipment training, remote sample prep and measurement, and imaging and analysis consultations.

MCF also happens to be where this top public research university and institute of technology houses their Malvern Panalytical Empyrean X-ray diffraction (XRD) instrument. The Empyrean XRD system generates X-rays, directs them toward a sample, and collects diffracted rays (the angle between the incident and the diffracted beam). Collected data are widely used for the identification of unknown crystalline materials (e.g. minerals, inorganic compounds), quantification of crystalline and amorphous materials, thin film thickness and structure, and many more applications. These applications are critical to studies in geology, environmental science, material science, engineering and biology.