Crystallography Center
The UoA Crystallography Center is a national leading, unique facility providing a service and researching in chemical crystallography and its disciplines.
It consists of two main units as follows:
- SC-XRD Unit
- p-XRD Unit
Staff
Head of Unit
Principal Investigator
Principal Investigator
SC-XRD Sub Unit
SERVICES
The system is a high-precision single-crystal diffractometer for complex and weakly diffracting samples. It features dual air-cooled X-ray sources (Cu/Mo) with Helios optics for highly monochromatic beams, a four-circle kappa goniometer for flexible data collection, and a Photon-III CPAD detector for high-sensitivity, shutterless imaging. The Oxford Cryostream 800 enables stable temperature control (80K–400K), while advanced software like APEX5 and Proteum supports detailed crystallographic analysis, including charge density studies and phase transitions. An automatic goniometer head allows for remote and automated crystal centering.
- 3D Structure Determination: Precise bond lengths and angles for compounds where spectroscopy falls short, with insights into structure-reactivity relationships.
- Absolute Stereochemistry: Essential for new compounds; Mo/Κα source available for elements heavier than silicon (Z > 14).
- Quantum Crystallography: Ultra-high resolution charge density studies (0.4-0.69 Å) for accurate electronic density modeling.
- Small & Twinned Crystals: Cu/Κα source enables analysis of tiny, weakly diffracting samples.
- Diverse Applications: Suitable for air-/moisture-sensitive compounds, organic/inorganic molecules, MOFs, minerals, materials, and biomolecules (proteins, peptides).
- Variable Temperature Studies: Phase transition analysis between 80-400K.
TECHNOLOGY AND EQUIPMENT
SC-XRD D8-Venture: Single Crystal X-ray Diffraction
X-ray Sources: Dual air-cooled Cu (1.5418 Å, 60W) and Mo (0.7107 Å, 70W) anodes with >99% monochromatization via Helios Multilayer Montel optics. High photon density (>7.5×10¹⁰ ph.s⁻¹.mm⁻² for Cu/Κα) and sealed helium optics eliminate continuous helium flow needs. Easy source switching.
- Goniometer: Four-circle kappa geometry enables φ and ω scans (≥0.3˚) for >99% completeness at resolutions ≤0.84 Å. Ideal for large unit cells, twinned crystals, and absolute stereochemistry determination.
- Detector: Photon-III CPAD detector (104×139 mm²) offers high sensitivity, wide dynamic range, fast data transfer, and continuous shutterless data collection.
- Cryogenic System: Oxford Cryostream 800 provides stable temperature control (80K–400K, ±1K).
- Software: APEX5, Olex2, Platon, Mercury, EnCifer, ConQuest, and Proteum for biomolecule crystallography.
- Automatic Goniometer Head: Enables remote and automated crystal centering.
SC-XRD D8-Venture
Detector, Gonimeter, X-ray source
Leica Microscope
p-XRD Sub Unit
SERVICES
The Bruker D8 Advance is a versatile, high-precision X-ray diffractometer for powders, thin films, and polycrystalline materials. Its 3 kW Cu/Kα source and advanced TWIN optics enable fast, accurate data collection in multiple geometries, including Bragg-Brentano and grazing incidence. The LYNXEYE XE-T detector ensures high sensitivity and eliminates fluorescence and Kβ radiation for clearer data. Powered by DIFFRAC.SUITE, TOPAS, and DIFFRAC.EVA software, it supports detailed analyses such as phase identification, crystallinity comparison, crystallite size, and microstrain calculations.
- Techniques Supported: Powder diffraction (pXRD), Grazing Incident Diffraction (GID), X-ray Reflectometry (XRR).
- Fast Data Collection: Automated optics on both source and detector sides enable high-quality data acquisition at low and high 2θ angles within minutes.
- Multiple Geometries: Supports Bragg-Brentano, grazing incidence diffraction, and X-ray reflectometry.
- Comprehensive Analysis: Phase identification, quantification, crystallinity determination, and crystallite size analysis.
- Thin Film Characterization: Measures thickness, phase, texture, and stress for crystalline, epitaxial, and polycrystalline films (nm–μm).
- Automation: Automatic data collection from multiple samples for increased efficiency.
TECHNOLOGY AND EQUIPMENT
Bruker D8 Advance p-XRD: Powder X-Ray Difractometer
- Source: 3 kW Cu/Kα closed-tube (water-cooled) source with high monochromaticity, featuring TWIN optics for optimal beam conditioning.
- Detector: LYNXEYE XE-T air-cooled detector with 192 channels, high sensitivity, and fluorescence/Cu/Kβ suppression (<0.1% Cu/Kβ). Supports 0D/1D/2D data collection.
- Automatic Carousel (FLIPSTICK): 9-position sample changer enables unattended data collection in reflection or transmission geometry.
- Air-Scatter Knife: Reduces air scattering for improved signal-to-noise ratio, enhancing precision in thin film and low-sample measurements.
- Goniometer: High-precision D8 2-circle goniometer for accurate measurements.
- Da Vinci Design: Plug-and-play optics, slits, and sample holders enable easy, automated calibration and adjustment.
- Software: DIFFRAC.SUITE with TOPAS, PDF refinement, and EVA for phase analysis, crystallinity, crystallite size, and structure refinement.
- Additional Features: Various sample holders, including zero-background holders for enhanced accuracy.
Bruker D8 Advance PXRD
X-ray source, Flipstict +Air scatterer, Detector
GID and XRR setup
Book our Equipment
We look forward to supporting your research with the best tools and expertise available. Explore our resources and unlock new possibilities at NKUA Core Facilities today!
Availability
NKUA Users
You can use your NKUA account to book our equipment with a single click by using the button below.
External Users
Book our Equipment
We look forward to supporting your research with the best tools and expertise available. Explore our resources and unlock new possibilities at NKUA Core Facilities today!
Availability
NKUA Users
You can use your NKUA account to book our equipment with a single click by using the button below.