 International school on fundamental crystallography and electron crystallography
 Scientific Program
 International Program Committee and lecturers
 List of praticipants
 Registration and News
 Lectures
Organized by the Bulgarian Crystallographic
Society,
Institute
of Optical Materials and Technologies (IOMT) “Academician Jordan Malinovski”
and the
IUCr Commission on Mathematical and Theoretical Crystallography
International Autumn School on
Fundamental and Electron Crystallography (IASFEC)
813 October 2017 , Sofia, Bulgaria
Timetable
Lectures: 9.30 13.30
Coffee break:
10.1510.45
Lunch break: 13.3015.00
Afternoon session (3.5
hours)
Exercises: 15.00 18.30
Coffee break: 16.3017.00
Necessary background (assumed achieved by all participants)
 Basic matrix algebra (matrix multiplication, calculation of determinant and trace)
 Interaction of radiation with matter.
 Elementary physics of scattering and diffraction. Fourier transform, atomic scattering factor and structure factor.
 Reciprocal lattice
 Bragg's law and Ewald's sphere.
Introduction to group theory: symmetry, symmetry groups,
point groups, lattices, unit cells, lattices planes, Miller indices, forms,
zones, zone axes, stereographic projections, metric tensor and
crystallographic calculations, subgroups, group – subgroup relations, change
of basis from group to subgroup,symmetry operations with a glide component,
effect of screw axes, GjonnesMoodie lines;
Integral, zonal and
serial diffraction conditions, indexing of ED patterns, calculation and
simulation of SAED pattern for a given compound, reconstruction of the unit
cell from SAED along different zone axes, analysis of CBED pattern,
differences between the symmetry information from SAED and CBED,
determination of point groups and space group from ED patterns, domains,
effect of twinning, twin index, unit cell of the twin lattice, determination
of space groups from ED patterns;
Scientific Program
Day 1: 08 October 2017, Sunday 

morning 
Arrival, registration and accommodation 

Lecturer: prof. Mois Aroyo 
13:30 – 18:00 
Basic matrix
algebra (matrix multiplication, calculation of determinant and
trace) 
Day 2: 09 October 2017, Monday 

9:15 – 9:30 
Opening of the School (Dr. Daniela Karashanova) 

Lecturers: prof. MoisAroyo, prof. Massimo Nespolo 
9:30 – 11:00 
Introduction to group theory:
the
notion of symmetry and symmetry groups.
Lattices and unit cells.
Crystallographic
symmetry in two dimensions 
11:00 – 11:30 
Coffee break 
11:30 – 13:30 
Crystallographic symmetry in three
dimensions: Bravais lattices, point groups, holohedries and
merohedries, point groups; HermannMauguin symbols for point groups. 
13:30 – 15:00 
Lunch 
15:00 – 16:30 
Lattice planes, Miller indices and BravaisMiller
indices. Forms, zones and zone axes.
Choice of the zones to look at in ED for the
different crystal systems.
Introduction to the stereographic projection
and exercises on the stereographic projection
to build crystallographic point groups. 
16:30 – 17:00 
Coffee break 
17:00 – 18:30 
Subgroups of point groups 
19:00 – 20:00 
Dinner 
Day 3: 10 October 2017, Tuesday 


Lecturers: prof.
MassimoNespolo, prof.Mois Aroyo 
9:30 – 11:00 
Metric tensor and crystallographic calculations: norm
of a vector, angle between vectors, change of basis. 
11:00 – 11:30 
Coffee break 
11:30 – 13:30 
Symmetry operations with a screw or glide component.
From point to space groups. 
13:30 – 15:00 
Lunch 
15:00 – 16:30 
Examples and exercises on space group diagrams.
Projections of space groups and their twodimensional
symmetry. 
16:30 – 17:00 
Coffee break 
17:00 – 18:30 
Groupsubgroup relations. Klassengleiche,
translationengleiche, isomorphic subgroups. Change of basis from
group to subgroup.
Definition and basic features of parent and
daughter phases.
Integral, zonal and serial diffraction conditions.
Diffraction symbol and possible space groups
corresponding to it. 
19:00 – 20:00 
Dinner 
Day 4: 11 October
2017, Wednesday 


Lecturers and guidance: Dr. Daniela Karashanova, Dr. Diana Nihtianova, Dr. Bogdan Ranguelov,
Dr. MihailTarassov 
09 :30

Work
in groups at
rotational principle 
1/2 day 
Transmission Electron
Microscopy (TEM) laboratory visit 

basics of TEM 

sample preparation for TEM 

experimental SAED and CBED patterns caption 
1/2 day 
Scanning electron microscopy (SEM) – laboratory visit 

basics of SEM 

sample preparation
for SEM 

Electron Back Scattered Diffraction (EBSD) 
11:00 – 11:30
16:00 – 16:30 
Coffee break and exchange of groups
Coffee break and Poster session 
13:30 – 15:00 
Lunch 
15:00 – 17:00 
Poster session 
19:00 – 20:00 
Dinner 
Day
5: 12 October 2017,
Thursday 


Lecturer: prof. Joke Hadermann 
9:30 – 11:00 
Indexing of an ED pattern.
Calculation / simulation of a SAED pattern
for a given compound (from cell parameters and zone axis).
Reconstruction of the unit cell from SAED
along different zone axes. 
11:00 – 11:30 
Coffee break 
11:30 – 13:30 
Connection of the symmetry in real space to
that of the ED pattern.
Analysis of the information one can obtain
from CBED. 
13:30 – 15:00 
Lunch 
15:00 – 16:30 
Differences between the symmetry
information from SAED (addition of inversion centre, can't
distinguish m or 2) and CBED (can distinguish all point symmetry
elements).
Exercises on experimental SAED and CBED
patterns 
16:30 – 17:00 
Coffee break 
17:00 – 18:30 
From superlattices (subcells) in ED to
sublattices (supercells) in real space.
Determination of point groups and space
groups from ED patterns. 
19:30 – 22:30 
Official Dinner 
Day
6: 13 October 2017,
Friday 


Lecturer: prof.
Massimo Nespolo 
9:30 – 11:00 
Domains (twins, antiphase domains); effect
of twinning on the diffraction pattern.
Calculation of twin index, obliquity, unit
cell of the twin lattice.
Splitting of reflections following a phase
transition to a lower lattice system. 
11:00 – 11:30 
Coffee break 

Lecturer: prof. Joke Hadermann 
11:30 – 13:30 
Effect of the presence of symmetry
operations with a glide component on ED patterns, effect of screw
axes, GjonnesMoodie lines
Determination of space groups from ED
patterns 
13:30 – 15:00 
Lunch 
15:00 – 16:30 
Dynamical effects of the multiple
diffractions and their effect on the reflection conditions and
expected equivalence of reflections.
Partial reconstruction of the space group
symmetry from atomic resolution images (projection of space groups,
effects of misorientation). 
16:30 – 17:00 
Coffee break 
17:00 – 18:30 
Short introduction on the possibilities of
extracting and using the reflections on ED patterns in a
quantitative manner to solve structures ab initio and to refine
structures.
Exercises on the determination of space
group from electron diffraction patterns. 
18:30 – 18:45 
Concluding remarks (Dr. Daniela Karashanova) 
19:00 – 21:00 
Farewell dinner 
Necessary background (assumed achieved by all participants):
•
Interaction
of radiation with matter.
•
Elementary physics of scattering and diffraction.
Fourier transform, atomic scattering factor and structure
factor.
•
Reciprocal lattice
•
Bragg's law and Ewald's sphere.
The Organizers of the International School on Fundamental and Electron Crystallography will observ the basic policy of nondiscrimination and affirms 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 would prevent the participation of bona fide scientists.
Registration
Organised by the Bulgarian Crystallographic Association, the IUCr Commission on Mathematical and Theoretical Crystallography and sponsored by the "International Union of Crystallography" and the European Crystallographic Association