JANA2020 Workshop @ MLZ

20 Oct 2025, 09:00 → 22 Oct 2025, 14:30 Europe/Berlin

Seminarraum/Foyer (5530.EG.003) (IGGSE Building)

Anatoliy Senyshyn, Martin Meven (RWTH Aachen University, Institute of Crystallography - Outstation at MLZ)

We would like to announce the 5^th Jana workshop in Garching, organised by MLZ Science Group “Structure Research”. After a series of very successful Jana2006 workshops in 2014, 2017 and Jana2020 in 2022 and 2023, we are happy to welcome Vaclav Petricek and colleagues back to Garching.

Main topic of the Workshop: recent developments and new functionalities of Jana2020 - a crystallographic program dedicated to the solution, refinement and interpretation of complex and modulated structures. The program deals with various diffraction data, including single crystal and powder data, as well as X-rays and neutrons as sources, which can be analysed either separately or in combination. Besides the functionalities for structure solution, Jana2020 can handle multi-phase structures (in both powder and single crystal data analysis modes), merohedric twins as well as twins with partial overlap of diffraction spots, commensurate and composite structures. Jana2020 deals with magnetic symmetries and, in general, contains a number of powerful transformation tools for symmetry (group-subgroup relations), cell parameters and commensurate-supercell transformations along with a wide scale of constraints and restraints, rigid body definition and the possibility to define a local symmetry affecting only part of the structure. 

Monday 20 October

09:00 → 12:30 20.10.2024 - Workshop - Day 1: Morning Session

09:00 Welcome & organisational details

09:10 Dr. M. Dušek – Introduction to Jana2020

09:50 Coffee break and Q&A

10:20 Hands-on tutorial „First steps with Jana2020“

Example 01.1: Zn | Solution of a simple crystal structure from single crystal data
Example 02.1.1: PbSO4 | Simple inorganic structure from powder
Example 02.5.1: Twoph | Multiphase powder refinement

12:30 → 13:30 Lunch break

13:30 → 22:00 20.10.2024 - Workshop - Day 1: Afternoon Session

13:30 Dr. M. Henriques – Magnetic structures in Jana2020

14:30 Hands-on tutorial „Magnetic structures, Part 1“

Example 12.1: Ba5Co5 |powder data, k=0
Example 12.2: Ba6Co6 |powder data, k=(0,0,1/2)
Example 12.5: HoNi |single crystal data, k=(0,0,1)
Example 12.9: NiTe2O5|single crystal data, k=0

15:30 Coffee break and Q&A

16:00 Hands-on tutorial „Magnetic structures, Part 1“ (continuation)

Example 12.1: Ba5Co5 |powder data, k=0
Example 12.2: Ba6Co6 |powder data, k=(0,0,1/2)
Example 12.5: HoNi |single crystal data, k=(0,0,1)
Example 12.9: NiTe2O5|single crystal data, k=0

19:00 Joint Dinner (Garchinger Augustiner)

http://www.garchinger-augustiner.com/

Tuesday 21 October

09:00 → 12:30 21.10.2024 - Workshop - Day 2: Morning Session

09:00 Dr. V. Petricek – Introduction to modulated structures

09:45 Hands-on tutorial „First steps with modulated structures“

Example 5.2: Na2CO3 | Simple incommensurately modulated structure from single crystal data
Example 7.6: Na2CO3 | Simple commensurately modulated structure from single-crystal data

11:00 Coffee break and Q&A

11:30 Hands-on tutorial „First steps with modulated structures“ (continued)

Example 5.2: Na2CO3 | Simple incommensurately modulated structure from single crystal data
Example 7.6: Na2CO3 | Simple commensurately modulated structure from single-crystal data

12:30 → 13:30 Lunch break

13:30 → 17:30 21.10.2024 - Workshop - Day 2: Afternoon Session

13:30 Dr. M. Henriques – Magnetic symmetry in superspace

14:15 Hands-on tutorial „Magnetic structures, Part 2“

Example 12.11: MnWO4 |single crystal, k=(0.216,0.5,-0.46)
Example 12.7: DyMn6Ge6 |powder data, k0=0 and k1=(0,0,0.1651)

15:30 Coffee break and Q&A

16:00 Hands-on tutorial „Magnetic structures, Part 2“ (continued)

Example 12.11: MnWO4 |single crystal, k=(0.216,0.5,-0.46)
Example 12.7: DyMn6Ge6 |powder data, k0=0 and k1=(0,0,0.1651)

Wednesday 22 October

09:00 → 12:30 22.10.2024 - Workshop - Day 3: Morning Session

09:00 Dr. V. Petricek – Twinned structures in Jana2020

09:30 Hands-on tutorial „Twins“

Example 3.1: AD3 – a simple pseudomerohedric twin
Example 3.3: CsLiSO4 – a three-fold pseudomerohedric twin with unexpected unit cell
Example 07.1: Ephedrine | Commensurately modulated structure with merohedric twinning

10:30 Coffee break and Q&A

11:00 Hands-on tutorial „Twins“ (continued)

Example 3.1: AD3 – a simple pseudomerohedric twin
Example 3.3: CsLiSO4 – a three-fold pseudomerohedric twin with unexpected unit cell
Example 07.1: Ephedrine | Commensurately modulated structure with merohedric twinning

12:30 → 13:30 Lunch break

13:30 → 14:00 Closing remarks