Services/Expertise

Single Crystal Analysis:

  • Crystal diagramCrystal and molecular structure determination of all type of compounds;
  • Identification based on the cell dimensions using CCDC database;
  • Large small-molecule and small macromolecule structures;
  • Integration and refinement of merohedral and non-merohedral twinned crystals;
  • Absolute structure determination;
  • Disorder modeling or removing it using squeeze procedure;
  • 2D Powder diffraction from only a few grains;
  • Publication quality check and illustrative materials preparation;
  • Consulting on crystallography, structural, solid state and materials chemistry and patents.

 

 

 

 

 

Phase identification of complex mixtures
Phase identification of complex mixtures

Integrating GADDS frames
Integrating GADDS frames

Powder Diffraction

  • Phase Identification (Qualitative analysis) using ICDD database;
  • Semi-Quantitative (EVA) & Quantitative (Topas) phase analysis;
  • Ab initio unit cell indexing;
  • High precision lattice parameters determination;
  • Ab initio crystal structure determination from powder data;
  • The Rietveld refinement of the crystal structure including accurate phase composition;
  • Fast (up to 1 hour) yet quality data collection using LynxEye strip detector;
  • High profile quality and low background data using Solid State detector;
  • Choice of MoKα, CuKα or single wavelength CuKβ radiation;
  • Amorphous content/Degree of crystallinity determination using internal or external standards;
  • Microstructure and texture analysis; crystallite (grain) size and micro-strain determination;

 

  • Microdiffraction using Göbbel mirror and area detector;
  • Good data from miniscule samples - several milligrams and tens of millimeter in size;
  • Large samples up to several kilograms and a foot long;
  • Quality diffraction data and mapping of thin films (down to nanometer thickness);
  • Effective avoiding of x-ray diffraction from the single crystal substrate;
  • Standardless amorphous to crystalline single phase ratio for polymers and pharmaceutics;
  • Neutron data collection & analysis in collaboration with NIST;

 

  • Experience and expertise in chemistry, structure and analysis of all classes:
    • metals, alloys and intermetallic compounds;
    • inorganic compounds and complexes;
    • minerals, zeolites and intercalates;
    • organic, metal-organics and organometallic complexes.

 

  • Powder X-ray characterization of materials with applications in:
    • manufacturing process and quality control;
    • raw material analysis in mining;
    • drug quality and purity in pharmaceutical industry;
    • crystallinity of polymers and nano-materials;
    • forensic analysis;
    • patent evaluation and more.