Department of Chemistry & BiochemistryUniversity of Maryland,  College Park, MD 20742    

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Single Crystal Analysis:

  • Crystal 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.


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.

  Phase identification of complex mixtures

  Integrating GADDS frames