2023 Neutron Scattering User Meeting

Magnetic structure determination with GSAS-II

Date: June 5, 2023

Location: ORNL, SNS. Building 8600. Room C-156.

This 1 day workshop will provide hands-on training and lectures on how to determine magnetic structures from powder and single-crystal neutron data using GSAS-II.

Examples from related, but week long, workshops can be found here past workshops. But this year we will only use GSAS-II.

This 1 day workshop is intended for graduate students, postdocs, and research scientists who have a working knowledge of crystallographic refinement and will benefit from incorporating the techniques of magnetic structure determination from neutron diffraction into their research.

Tutorial Material:

K. Taddei - CW Powder Data

Q. Zhang - TOF Powder Data

Agenda (click on title to download presentation/tutorial)

Time	Title	Presenter
8:30 – 9am	Welcome and Introductory remarks on Diffraction at ORNL	Bryan Chakoumakos
9–9:30am	Experimental aspects of Magnetic Structure Determination and Magnetic Space Groups	Stuart Calder
9:30–10:00am	A hierarchy of magnetic structures based on lattice dimensionality	Ovidiu Garlea
10:00–10:15am	Break
10:15–11:05am	Introduction to GSAS-II	Brian Toby
11:05–12:00	Introduction to Magnetism in GSAS-II	Bob von Dreele
12:00–1:00pm	Working Lunch: Diffraction instruments at SNS/HFIR	Clarina dela Cruz
1–3pm	Hands-on Example of GSAS-II refinement of magnetic structure from Constant Wavelength Powder Diffraction Data	Keith Taddei
3-3:15pm	Break
3:15-5:15pm	Hands-on Example of GSAS-II refinement of magnetic structure from TOF Powder Diffraction Data	Qiang Zhang
5:15-5:45pm	Current status of GSAS-II refinement of magnetic structure on Single Crystal Data	Yan Wu
5:45-6pm	Summary discussion.  Bring your own magnetic structure data. Poster Set-up.	Everyone
6.00pm	Dinner and Poster Session in lobby of 8600	Everyone