
Crystallography
Code: 106812Credits: 6
| Degree programme | Type | Course |
|---|---|---|
| Nanoscience and Nanotechnology | OB | 1 |
Contact lecturer
- Name :
- Sergi Plana Ruiz
- Email :
- sergi.plana@uab.cat
Teaching staff
- Anna Crespi Revuelta
- Nuria Bagues Salguero
Group languages
You can consult this information at the end of the document.
Prerequisites
The course has no previous prerequisites, apart from basic knowledge of mathematics, physics and chemistry. Basic knowledge is required in:
- Chemical formulation
- Valence and bonding
- Matrix algebra
- Vector algebra
- Wave physics
Objectives
This course provides the fundamentals to understand and describe the organization of atoms in solids.
The objectives are:
1. Acquisition of the basic knowledge for the description of the crystal structure of solids. The aspects to consider are:
- The crystal lattice and its mathematical description.
- Crystal symmetry and its mathematical description.
2. To know the basics of X-ray diffraction of crystals as an experimental technique that allows the access to the crystalline structure of solids.
3. Acquisition of spatial perspective of crystalline structures and their symmetry.
4. To learn how to perform simple tasks with crystallography software.
5. To learn how the type of bond is related to the crystal strcuture and to know the most important structural types.
6. To get the the bases to be able to relate the physical properties of matter with its crystalline structure, inclusing nanosize effects.
Learning outcomes
- CM13 (Apply chemical knowledge to solve quantitative and qualitative problems, using bibliographic sources when necessary.) Apply chemical knowledge to solve quantitative and qualitative problems, using bibliographic sources when necessary.
- CM14 (Work collaboratively to plan and organise the basic tasks carried out in a physicochemical analysis laboratory.) Work collaboratively to plan and organise the basic tasks carried out in a physicochemical analysis laboratory.
- CM15 (Handle chemical products and wastes while taking their impact on safety and the environment into account.) Handle chemical products and wastes while taking their impact on safety and the environment into account.
- KM25 (Recognise and describe the geometrical patterns and symmetry that characterise a crystalline medium.) Recognise and describe the geometrical patterns and symmetry that characterise a crystalline medium.
- SM21 (Apply the main techniques used in to identify and characterise the structure and composition of the material.) Apply the main techniques used in to identify and characterise the structure and composition of the material.
- SM22 (Explain the variation in properties of the chemical elements and their compounds, based on the periodic table groups and crystal structure.) Explain the variation in properties of the chemical elements and their compounds, based on the periodic table groups and crystal structure.
Contents
Topics (topic order may change)
1. Reticular theory
2. Point symmetry
3. Spatial symmetry
4. Crystal structures
5. Crystal morphology
6. X-ray diffraction
7. Real crystal
Practical sessions (the order and content may change)
Session 1: Point symmetry with crystallographic models
Session 2: Point symmetry with interactive PDFs
Session 3: Plane symmetry groups
Session 4: Visualization of crystal structures with VESTA
Session 5: Powder Diffraction
Session 6: Crystallography databases
Learning activities and methodology
| Title | Hours | ECTS | Learning outcomes |
|---|---|---|---|
| Independent work | 87 | 3.48 | |
| Tutorials | 5 | 0.2 | |
| Laboratory | 12 | 0.48 | |
| Lectures | 35 | 1.4 |
Lectures consists of explanations from the teachers together with questions and discussions with the students.
In the tutorials students are split in two groups. The tutorials consist of solving exercises and problems previously provided to the students. Once the exercises are done in class, the solutions will be available on the virtual campus.
In the laboratories students are split in three groups. If possible, laboratories will take place in spaces that facilitate group work or in classrooms that allow the use of computers (electrified classrooms or PC classrooms). The students will have a script to carry out with the support of the teaching staff. The correct result will be provided either in the classroom itself or in the virtual campus.
The students' independent work consists on working by himself/herself on all the aspects previously seen in the classroom either in lectures, tutorial or laboratories. Lecture presentations, reference material, bibliography, solved exercises and crystallography software (either in computer classrooms or as free software) will be available for the students for this purpose.
The Virtual Campus is used for communication with the students. It is also the place where laboratory scripts, specific reference material, lecture presentations, grades, etc. will be stored. The lecture presentations constitute the bases for the lectures, but in any case they replace the attendance to the lectures.
In this subject, the use of Artificial Intelligence (AI) technologies is not permitted at any stage. Any work that includes AI-generated passages will be considered an act of academic dishonesty and may result in a partial or full evaluation deduction for the assignment, or even more severe sanctions in more serious cases.
Assessment
Continuous assessment activities
| Title | Weight | Hours | ECTS | Learning outcomes |
|---|---|---|---|---|
| Deliveries | 20 - 30 % | 4 | 0.16 | CM13, CM14, CM15, KM25, SM21, SM22 |
| Mid-term exam 2 | 35 - 40 % | 2 | 0.08 | CM13, KM25, SM21, SM22 |
| Mid-term exam 1 | 35 - 40 % | 2 | 0.08 | CM13, KM25, SM21, SM22 |
| Recovery exam | 35 - 40 % each part | 3 | 0.12 | CM13, KM25, SM21, SM22 |
The evaluation of the course includes both continuous evaluation and a final or recovery exam.
Continuous assessment
Continuous assessment comprises two mid-term exams, the first one is scheduled for the first half of April and the second in June. Each exam represents 35-40% of the overall qualification. Continuous assessment also includes the assessment of assignments, class attendance, exercises, assignment or quiz set in class. These assignments represent 20%-30% of the overall grade.
The course can be passed in the continuous assessment, without the need to take the final exam if an overall grade of 5 is reached. The make-up exam in June is an opportunity redo one or two mid-term exams. In this case, the grade obtained in the make-up exam will replace the corresponding partial exam. Assessable deliveries are not recoverable.
Students who do not assists to any exam will be considered as not avaluable.
Attendance at practical sessions is compulsory; failure to attend three practical sessions without justification will result in a grade of “Not Assessed”.
Single assessment
The single assessment (for students who requested it) will take place on the day of the second mid-term exam. This assessment will consist of:
1.-Completion of an exam for the entire subject (70% of the overall grade).
2.-The delivery of a work to be done with crystallographic software (10% of the overall grade).
3.-An oral test where crystal models will be presented and questions will be asked about their symmetry (20% of the overall grade).
In case of failing to pass, the students will have the right to take a second exam where the grade will replace the grade of the first exam. This second exam will preferably take place on the same day as the make-up exams. Both the assignment and the oral test cannot be recovered.
The realization of any irregularity in an assessment (academic fraud, plagiarism or improper use of AI, unless such use is expressly authorised in the course guide), which may lead to a significant change in the grade, will result in that attempt being marked with a 0. If the course guide stipulates that obtaining a minimum mark in this assessment is a prerequisite for passing the subject, or if multiple irregularities occur in the assessments for the same subject, the final mark for that subject will be 0. In addition, disciplinary proceedings may be initiated against any student who commits any of these irregularities.
Bibliography
Books:
· An introduction to Mineral Science
A. PUTNIS, Cambridge University Press
· Fundamentals of Crystallography
C. GIACOVAZZO, Oxford University Press
· Space groups for solid state scientists
G. BURNS, A. M. GLAZER, Elsevier
· The Basics of Crystallography and Diffraction
C. HAMMOND, Oxford University Press
· Crystallography
WALTER BORCHARDT-OTT, Springer Verlag
· Estructura atómica y enlace químico
JAUME CASABÓ I GISPERT, Editorial Reverté
• An Introduction to Crystal Chemistry
R.C. EVANS, Cambridge University Press
• Cristal·lografia. Teoria Reticular, Grups Puntuals i Grups Espacials
SALVADOR GALÍ MEDINA, Edicions de la Universitat de Barcelona
• International Tables for Crystallography. Volume A: Space-Group Symmetry (teaching edition)
T. HAHN, editor, The International Union of Crystallography, D. Reidel Publishing Company
Websites:
http://www.iucr.org - International Union of Crystallography
http://www.iucr.org/education/pamphlets - Teaching pamphlets
http://reference.iucr.org/dictionary/Main_Page - Diccionari de cristal·lografia
http://it.iucr.org/ - International Tables for Crystallography, accés només al campus
http://www.xtal.iqfr.csic.es/Cristalografia/ - Instituto de Química Física Rocasolano
http://www.crystallography.net/cod/ - Crystallography Open Database
https://www.rruff.net/amcsd/ - American Mineralogist Crystal Structure Database
Software
VESTA: https://jp-minerals.org/vesta/en/
Quiztallography (Android): https://play.google.com/store/apps/details?id=aax.uab.quiztallography&pli=1
Course groups and languages
The information provided is provisional until November 30. After this date, you will be able to consult the language of each group through this link. To access the information, you will need to enter the course CODE
| Type of teaching | Group | Language | Semester | Shift |
|---|---|---|---|---|
| (TE) Theory | 1 | Catalan | second semester | afternoon |
| (PAUL) Classroom practices | 1 | Catalan | second semester | afternoon |
| (PLAB) Practical laboratories | 1 | Catalan | second semester | morning-mixed |
| (PAUL) Classroom practices | 2 | Catalan | second semester | afternoon |
| (PLAB) Practical laboratories | 2 | Catalan | second semester | morning-mixed |
| (PLAB) Practical laboratories | 3 | Catalan | second semester | morning-mixed |