National Institute of Technology Rourkela

International Union of Crystallography
Commission on Mathematical and Theoretical Crystallography

International School on Fundamental Crystallography and Workshop on Rietveld Refinement Analysis (ISFC-2026)

23 - 28 february 2026

Venue

Department of Physics & Astronomy, National Institute of Technology Rourkela, Sundargarh, Odisha-769008, INDIA.

Speakers and Tutors:

Prof. Mois Ilia Aroyo (MIA), Universidad del País Vasco, Bilbao, Spain.
Prof. Massimo Nespolo (MN), Université de Lorraine, Nancy, France.
Prof. Juan Rodríguez-Carvajal, (JRC) Institut Laue-Langevin, Grenoble, France.
Dr. Claire V. Colin (CVC), Institut Néel - CNRS & UGA, Grenoble, France.
Dr.Gemma de la Flor Martín (GFM), Karlsruhe Institute of Technology, Germany.
Dr. Dillip K. Pradhan (DKP), National Institute of Technology Rourkela, Odisha, India.
Dr. Ranjana R. Das (RRD), Government Autonomous College, Rourkela, Odisha, India
Dr. Anupam Mishra (AM), National Institute of Technology Rourkela, Odisha, India
Dr. Anusree V. K. (AVK), R Sankar Memorial SNDP Yogam Arts & Science College, Koyilandy, Kerala, India

PROVISIONAL PROGRAM

11:00 to 11:30 Tea Break
13:00 to 14:30 Lunch Break
16:00 to 16:30 Tea Break

School on Fundamental Crystallography

1^st Day (23^rdFebruary, 2026) morning session

9:00– 9:30Opening of the school

9:30 - 11:00 (MIA) Revision: Matrix calculus applied to crystallography. Isometries and crystallographic symmetry operations. Crystallographic point and space-group symmetry operations. Matrix-column presentation of symmetry operations. Symmetry elements: geometric elements and element sets.

11:30 - 13:00 (MN)Crystal pattern, Crystal lattice vs. crystal pattern and crystal structure. Symmetry directions in a lattice Unit cells: primitive cells, multiple cells, conventional cells in 2D and 3D Crystal families.

1^st Day (23^rdFebruary, 2026) afternoon session

14:30 – 16:30 (MN) Symmetry groups and types of symmetry in direct space: morphological symmetry; symmetry of physical properties; symmetry of lattices; symmetry of the unit cell content; symmetry of crystallographic patterns.

17:00 - 19:00 (MN)Crystallographic point groups: Crystallographic point groups. Stereographic projection and the morphology of crystals. Hermann-Mauguin symbols for point groups.

2^nd Day (24 ^thFebruary, 2026) morning session

9:00 - 11:00(MIA) Crystallographic point groups (cont.), Basic properties of groups (group axioms, order, multiplication tables, etc.). Subgroups, index, coset decompositions, Lagrange theorem.

11:30 - 13:00 (MIA) Crystallographic point groups (cont.), Group actions: conjugation and normalizers. Wyckoff positions for point groups. Relations of Wyckoff positions for a group-subgroup pair. Supergroups of point groups. Overview of crystallographic point groups.

2^nd Day (24 ^thFebruary, 2026) afternoon session

14:30 - 16:30 (MN) Space groups – general introduction: Periodic structure of the crystalline matter: lattices and their basic properties. Space groups and their descriptions: Hermann-Mauguin symbols of space groups. Symmorphic and non-symmorphic space groups. Classification of space groups.

17:00 – 19:00 (MN) Space groups and their descriptions (cont.): Space-group diagrams. General and special positions, site-symmetry groups, crystallographic orbits.

Exercises on orthogonal projections of space groups 1.

3^rd Day (25 ^th February, 2026) morning session

9:00 – 11:00 (MN)Space groups and their descriptions (cont.): Exercises on orthogonal projections of space groups 2.

11:30 – 13:00 (MIA)Space groups and their description in International Tables for Crystallography, Vol. A: Matrix-column formalism in the description of space-group symmetry Structure of space groups: coset decomposition of the space group with respect to its translation subgroup.: Point groups of space groups.

3^rd Day (25 ^thFebruary, 2026) afternoon session

14:30 - 16:30 (MIA):. Transformations of the coordinate systems: change of origin and orientation. Conventional and non-conventional descriptions of space groups; ITA-settings

Group-subgroup relations between space groups: Subgroups of space groups: types of subgroups of space groups. Maximal subgroups of space groups; series of isomorphic subgroups. Maximal subgroups in International Tables Crystallography, Vol. A1. Hermann theorem, Coset decomposition.

17:00 – 19:00(MIA, GFM); Group-subgroup relations of space groups (cont.) Applications of group-subgroup relations of space groups. Supergroups of space groups. Normalizers,

Hands-on session: Bilbao Crystallographic Server: Computer databases and access tools to crystallographic symmetry data for space groups (International Tables for Crystallography, Volume A: Space-group symmetry): symmetry operations and their matrix-column presentation; geometric interpretation; general and special Wyckoff positions, site symmetry. Conventional and non-conventional descriptions of space groups; ITA-settings .

4 Day (26 ^th February, 2026) morning session

9:00 – 11:00 (MIA, GFM) Hands-on session: Crystal-structure tools of the Bilbao Crystallographic Server: Crystal-structure descriptions. Descriptions of crystal structures with respect to different ITA settings of the space groups (the program SETSTRU). Equivalent crystal structure descriptions (the programs EQUIVSTRU and COMPSTRU).

11:30 - 13:00(MIA, GFM) Hands-on session:Crystal-structure tools of the Bilbao Crystallographic Server (cont.) Crystal-structure descriptions compatible with symmetry reduction (the program TRANSTRU). Crystal-structure relationships (the program SYMMETRY RELATIONS), Pseudosymmetry search (the program PSEUDO)

Workshop on Rietveld Refinement Analysis

4 ^th Day (26 ^th February, 2026) Afternoon session

14:30 - 16:30(CVC): Introduction to powder diffraction: Diffraction, Bragg’s law and Laue equations, Single crystal vs powder diffraction, Reciprocal lattice, Ewald construction, Atomic scattering factor, Structure factor, Information in a powder pattern.

Tutorial (DKP): Predicting the diffraction pattern (peak positions).

Hands on session (DKP):Indexing the pattern and determining unit cell parameters.

17:00 – 19:00(DKP, RRD):Overview of X-ray lab instrumentation: Laboratory X-ray sources, Generation of X-rays, Choice of X-ray Target, Laboratory X-ray Sources, Filters, Monochromators, X-ray Detectors, Samples & Sample Holders, Data Collection Strategies, key considerations for collecting high-quality data.

Synchrotron X-ray and Neutron diffraction: Properties of the Neutron, Neutron Detectors, Synchrotron X-ray and Neutron diffraction.

Hands on: Instrumentation Lab visit, Sample preparation.

5 ^th Day (27 ^thFebruary, 2026) Morning session

9:00 – 11:00 (CVC) The Intensity of a Bragg Reflection:Structure Factors, Single Atom Scattering theory (X-ray and neutron Scattering), Scattering from a Crystal (Thermal Motion Effects, the Lorentz Factor, Magnetic Neutron Scattering), Scattering from a Polycrystalline Powder.

>Tutorial: Structure Factors and Peak Intensities

Hands-on:Calculation of diffraction intensities.

Practical: Simulated Data Collection Strategies: Use of software tools or guided discussions to simulate data collection processes.

11:30 – 13:00 (MN)Reciprocal space, Simplified theory of diffraction. Information retrievable from X-ray diffraction data collection. Integral, zonal and serial reflection conditions and their use to determine the space-group type.

5 ^th Day (27 ^th February, 2026) Afternoon session

14:30 - 16:30: (CVC)Sources of diffraction peak broadening (sample sources (size, strain, defects etc.), instrumental sources, analytical functions for peak description.

Hands on training(RRD, AM, AVK): Prepare input files and practice profile fitting using FullProf.

17:00 – 19:00(JRC) Theoretical basis of the Rietveld method, Strategy of structure refinement Constrains, restrains, rigid body.

Hands on training :Insight of Whole powder pattern fitting (LeBail methods using FullProf). Hands on training on Rietveld refinement (FullProf).

6 ^th Day (28 ^th February, 2026) Morning session

9:00 – 11:00: (JRC)Microstructural Applications of Rietveld Refinement.

11:30 - 13:00 (RRD, AM, AVK) Working with the Toolbar and WinPLOTR, peak position determination, indexing, unit cell refinement, profile fitting of individual peaks.

Hands on training (Cont.):Insight of Whole powder pattern fitting (LeBail methods using FullProf). Hands on training on Rietveld refinement (FullProf).

6 ^th Day (28 ^th February, 2026) Afternoon session

14:30 - 16:30(RRD, AM, AVK)Hands on training (Cont.):Hands on training on Rietveld refinement (FullProf).

17:00 – 18:30(RRD, AM, AVK): Hands on training (Cont.):Hands on Fullprof: Student Data and Advanced Refinement Session: Students bring their own data for refinement or use sample neutron diffraction data for magnetic structure calculation.

18:30 - 19:00 Final farewell remarks: end of the school

Contact:

For inquiries about the scientific program, please contact . For all inquiries about the organisation, please contact:
Dr. Dillip K. Pradhan
Coordinator, (ISFC-2026)
Department of Physics & Astronomy
National Institute of Technology Rourkela
Rourkela, Sundargarh, Odisha-769008, INDIA
Phone: +91-661-2462729, +91- 9437170561 (Cell Phone)
Email: .

The Organizers of the International School on Fundamental Crystallography and Workshop on Rietveld Refinement Analysis (ISFC-2026) will observe the basic policy of non-discrimination and affirm the right and freedom of scientists to associate in international scientific activity without regard to such factors as citizenship, religion, creed, political stance, ethnic origin, race, colour, language, age or sex, in accordance with the Statutes of the International Council for Science. At this school no barrier will exist which could prevent the participation of bona fide scientists.