The Division deals with the syntheses and diffraction and spectroscopic structural studies of single crystal and powder materials. The group is also involved in supporting research activities of other divisions of the Institute in measuring diffraction diagrams on X-ray powder diffractometer using reflection and transmission modes, also vs. temperature.



  • Studies of crystal structure and structural phase transformations of functional materials such as ferroics, multiferroics, ionic conductors, relaxors and dielectrics.
  • Studies of correlated structural disorder in crystals by analysis and modeling of X-ray diffuse scattering.
  • Structural and functional properties of metalophtalocyanines.
  • Topological analysis of intermolecular interactions in crystals.
  • Studies of molecular dynamics using methods of vibrational spectroscopy with polarized radiation on single crystal samples.
  • Spectroscopic studies of crystals of complexes of amino acids and amines with various acids and metal salts.

Important publications in 2005-2015:

  1. M. Paściak, M. Wołcyrz, and A. Pietraszko: Interpretation of the Diffuse Scattering in Pb-Based Relaxor Ferroelectrics in Terms of Three-Dimensional Nanodomains of the <110>-Directed Relative Interdomain Atomic Shifts. Phys. Rev. B 76 (2007) 014117 (9).
  2. M. Paściak, M. Wołcyrz, and A. Pietraszko: Structural Origin of the X-ray Diffuse Scattering in (CH3)4NCdCl3 and Related Compounds. Phys. Rev. B 78 (2008) 024114 (9). 
  3. D. Komornicka, M. Wołcyrz, A. Pietraszko, W. Sikora, and A. Majchrowski: Modal Disorder and Phase Transition in Rb0.91Nb0.96W1.04O5.98. Interpretation of X-ray Diffuse Scattering Using the Group Theory Approach. J. Solid State Chem. 230 (2015) 325–336. 
  4. M. Drozd and J. Baran: Polarized IR-Microscope Spectra of Guanidinium Hydrogenselenate Single Crystal. Spectrochim. Acta A 61 (2005) 2953–2965. 
  5. J. Baran and H. Ratajczak: Polarised Vibra onal Studies of the α-Glycine Single Crystal. Part I. Polarised Raman Spectra and the Problem of Effective Local Raman Tensors for the Glycine Zwitterions. Vib. Spectr. 43 (2007) 125–139. 
  6. J. Janczak and R. Kubiak: Synthesis and Characteriza on of Oxygenated Magnesium Phthalocyanine. Polyhedron 56 (2013) 200–210.
  7. J. Janczak and R. Kubiak: Reactivity of the HoPc2I in the Acetylacetone–Water System. Polyhedron 81 (2014) 695–704.
  8. M. Daszkiewicz: Complex Hydrogen Bonding Patterns in bis(2-Aminopyrimidium) Selenate Monohydrate. Interrelation among Graph-Set Descriptors. Struct. Chem. 23 (2012) 307–313.
  9. M. Daszkiewicz: Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentroosymmetric Chlorides. X-ray, Vibra onal and Theore cal Studies. Cryst. Growth Design 13 (2013) 2277–2285.
  10. N. Kanagathara, N.G. Renganathan, M.K. Marchewka, N. Sivakumar, K. Gayathri, P. Krishnan, S. Gunasekaran, and G. Anbalagan: Growth and Characteriza on of Melaminium bis(trichloroacetate) Dihydrate. Spectrochim. Acta A 101 (2013) 112–118. 


1. Structure research

  • Oxford Diffraction X'calibur four-circle single-crystal X-ray diffractometer with CCD Atlas detector, Oxford Diffraction Helijet helium attachment (T = 10 - 300 K) and Oxford Cryosystem Cryostream 800 Plus low-temperature nitrogen attachment (T = 80 - 500 K).
  • KM4 four-circle single-crystal X-ray diffractometer with a CCD detector, Oxford Cryosystem Cryostream 600 low-temperature nitrogen attachment (85-300 K) and Oxford Diffraction high-temperature attachmnet (T = 300-700 K). The diffractometer is also equipped in a high-pressure Merrill-Bassett chamber enabling measurements under hydrostatic pressure up to 10 GPa.
  • PANalitycal X'Pert Pro X-ray powder diffractometer with Oxford Cryosystem 700 low-temperature nitrogen attachment (110-300 K) and Anton Paar HTK 1200 high-temperature closed attachment (325-1470 K); the diffractometer is able to work in Bragg-Brentano reflection geometry by using Johansson-type monochromator and in transmission geometry (for flat samples or capillaries) using a focusing mirror.

2. Optical studies

  • Station for optical studies consisting of OLYMPUS BX53 microscope designed for observations in the polarized light with possible orthoscopic and conoscopic figure technique, equipped with Linkam THMS 600 temperature attachment (77-873 K), a XC50 CCD video camera, and SZX19 microscope for stereoscopic observations in transmitted and reflected light, with possibility of image recording.

3. Spectroscopical studies

  • Bruker IFS-88 infrared (IR) and far infrared (FIR) Fourier spectrometer (range 4800-30 cm-1 resolution of 0.5 cm-1), with FRA-106 add-on for measurements of Fourier Raman spectra (range 3500- 80 cm-1) in temperature range from 13 K to 1000 K, both in powder samples and single crystals in polarized light using transmission and reflection technique.
  • Jobin-Yvon Ramanor U-1000 Raman spectrometer with CCD detector and a photomultiplier. Measuring range of 10-4000 cm-1, with a resolution of 0.1 cm-1 in the temperature range from 13 K to 1000 K.

4. Phase transition studies

  • Perkin-Elmer 8000 differential scanning calorimeter (range from 100 K to 870 K) with TGA PE-TGA4000 add-on, ranging from room temperature to 1300 K.