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Data collection, structure analysis, and crystallography consultation services.

Major Equipment

  • Panalytical Empyrean Powder X-ray diffractometer. Installed 2016 with upgrades 2020. Equipped with both parallel beam and focusing optics and a high speed PIXcel 3D Medipix detector for analysis of powders, multicrystalline materials and thin films. Users can choose between reflection/transmission spinner (Bragg Brentano mode), capillary transmission spinner (parallel beam, capillary), five axis cradle stage (thin films, reciprocal space mapping), or high temperature stage and vacuum system (measurements up to 1000 °C and/or under inert gases). Domed sample cups available for easy analysis of air sensitive materials. ICDD and ICSD databases available.

  • Installed 2016: Bruker D8 Quest Single Crystal Diffractometer with Mo sealed tube and curved graphite monochromator with a Photon-II detector (10 cm x 14 cm) and three axis goniometer. Equipped with an Oxford Cryostream 800 plus variable temperature device (80-500K). This instrument is ideal for fast, high throughput data collection of well to weakly diffracting samples, and for heavily absorbing samples. Typical samples include metal-organic complexes, metals, ceramics, well diffracting organic crystals. For software, procedures and publication items see here.
  • Installed 2016 (detector 2020): Bruker D8 Quest Single Crystal Diffractometer with Cu microsource, laterally graded X-ray optics (Goebel mirror) and four circle kappa geometry, equipped with a Photon-III C14 detector (10 cm x 14 cm). Equipped with an Oxford Cryostream 800 variable temperature device (80-400K). Featuring a copper radiation microsource this instrument is ideal for samples that are very weakly diffracting, for very small crystals (< 0.1 mm), and for determination of absolute structure of organic compounds (no atoms heavier than fluorine). For software, procedures and publication items see here. The instrument can also be used for powder XRD analysis when only very small sample amounts are available, or for WAXS-like analysis of solid samples.
  • Installed 2019: Malvern Panalytical Epsilon 4 benchtop energy dispersive X-ray fluorescence (XRF) spectrometer for elemental analysis from fluorine (F) to americium (Am). For bulk and trace analysis of inorganic and organic-inorganic hybrid materials, minerals, building materials as well as trace element analysis in oils and fuels, polymers, plastics, food, pharmaceuticals cosmetics and the environment. It handles a wide variety of sample types, including solids, pressed and loose powders, liquids and filters and performs non-destructive quantitative analysis in concentrations from 100% down to sub-ppm levels (for heavier elements), on samples weighing anything from a few milligrams to kilograms. Elemental screening and element ratios are available using the Omnian standardless analysis solution. The Ag anode X-ray tube guarantees best performance of P, S and Cl analysis. The spectrometer features a 10-position removable sample changer and can accommodate samples up to 52 mm (2 inch) in diameter.
  • Binder Model FD23 programmable drying and heating oven for drying of single crystals and powder samples at set temperatures. Temperature range from 5°C above ambient to +300 °C, forced convection, adjustable exhaust air flap, controller timer functions, interior lighting. 11.82 x 8.75 in (height 13 in), 0.7 cu.ft. 1-10 °C/min heating ramp.

Other Resources on site

  • Computers for data processing and structure refinements.
  • Single Crystal and Powder XRD databases: CSD (Cambridge Structural Database), ICDD (data bases of the International Center for Diffraction Data), ICSD (Inorganic Crystal Structure Database).
  • Sample preparation tables for powder XRD, single crystal XRD and XRF samples.
  • Carl Zeiss Discoery.V8 crystal mounting microscope on a dedicated crystal mounting table with adjustable eyepieces and a magnification range between 10 and 80 times. Equipped with a digital camera and large video screen.
  • Carl Zeiss AxioCam crystal mounting microscope. This microscope is placed inside a chemical fumehood for save handling of volatile solvents and samples.
  • Fridge/freezer, fumehood and flammable cabinet for save storage and handling of crystal specimens.
  • Ultrasonic bath / cleaner.
  • Analytic microbalance (0 - 100g).
  • Flammable cabinet with select solvents for crystal growth and handling.