Research Centre for Crystalline Materials

Equipment in Our Laboratories


X-Ray Diffraction (XRD) Laboratory



The XtaLAB Synergy-S diffractometer combines leading edge components and user-inspired software. The system is based around the PhotonJet microfocus sealed tube sources specifically designed for single crystal diffraction. These third generation sources include technology which maximizes X-ray photons at the sample and are available in Cu, Mo or Ag wavelengths in either a single or dual source configuration. The XtaLAB Synergy system also includes a new kappa goniometer that features a unique telescopic two-theta arm to provide total flexibility for your diffraction experiment. The XtaLAB Synergy is equipped with Atlas CCD detector to allow you to design the best diffractometer for your samples.


  • Fast data collection
  • High intensity dual microfocus PhotonJet-S X-ray sources (Mo/Cu wavelength)
  • 4-circle kappa for greater completeness & faste strategies
  • Unique telescopic two-theta arm to reach both longer and shorter crystal-to-detector distances
  • Improved X-ray optic alignment mechanism for easy maintenance
  • Electronically controlled brightness of cabinet and sample lighting
  • User-friendly CrysAlisPro Graphical User Interface (GUI)
  • Atlas S2 CCD Detector




The SmartLab is the most novel high-resolution X-ray diffractometer available today. Perhaps its most novel feature is the SmartLab Guidance software, which provides the user with an intelligent interface that guides you through the intricacies of each experiment. It is like having an expert standing by your side. The system incorporates a high resolution θ/θ closed loop goniometer drive system, cross beam optics (CBO), an in-plane scattering arm, and an optional 9.0 kW rotating anode generator. Coupling a computer controlled alignment system with a fully automated optical system and the Guidance software makes it easy to switch between hardware modes, ensuring that your hardware complexity is never holding back your research.


  • 3kW X-ray generator, tube voltage variable range 20 – 60 kV
  • Equipped with Anton Paar TTK 600 low temperature attachment
  • Cross Beam Optics (CBO) unit, Cross Beam Optics (CBO-E) unit and Incident Curved Crystal K-Alpha Optics
  • High resolution θ/θ closed loop goniometer drive system
  • 1D Semiconductor Detector D/tex 250
  • Auto Sample Changer to accommodate up to 48 samples
  • Application Analysis Software - PDXL Basic
    - PDXL Qualitative Analysis
    - PDXL Quantitative Analysis
    - PDXL Application Analysis – lattice parameter refinement, % Crystallinity
    - PDXL Structural Analysis – Indexing, Rietveld, Structure DeterminationICDD-PDF 2 Database
  • ICDD PDF-2/Organics Academic License




New sixth generation MiniFlex 600 X-ray diffractometer (XRD) is a multipurpose analytical instrument that can determine: phase identification and quantification, percent (%) crystallinity, crystallite size and strain, lattice parameter refinement, Rietveld refinement, and molecular structure. It is widely used in research, especially in material science and chemistry, as well as in industry for research and quality control. It is the newest addition to MiniFlex series of benchtop X-ray diffraction analyzers from Rigaku, which began with the introduction of the original MiniFlex system decades ago.


  • Compact, fail-safe radiation enclosure
  • Incident beam variable slit
  • Simple installation and user training
  • Factory aligned goniometer system
  • Measurement:
    - Phase identification
    - Phase quantification
    - Percent (%) crystallinity
    - Crystallite size and strain
    - Lattice parameter refinement
    - Rietveld refinement
    - Molecular structure
  • 8-position autosampler
  • D/teX Ultra: Silicon Strip Detector

Person In-Charge: Dr Tan Yee Seng at

Nuclear Magnetic Resonance (NMR) Laboratory



The NMR Bruker Ascend 400 MHz Spectrometer is predetermined for rapid acquisition of routine 1D and 2D NMR experiments. The Ascend magnet incorporates the key technologies of the UltraShield Plus magnets. The Avance III platform has two channels (SGU1 and SGU2), 50 W 1H/19F amplifier, 135 W X amplifier and MULTILINK HPPR/2 preamplifiers. The Bruker Ascend 400 MHz is equipped with a 5 mm BBFO probe with 2H "lock" channel and z gradient. The spectrometer is also equipped with a control temperature unit prepared to work at temperatures ranging from -150 °C to +150 °C.


  • UltraShield Plus 9.4T magnet
  • RT probe, multinuclear broadband fluorine observe (BBFOPLUS) probe with digital tuning covering the range from 15N to 31P and 19F with 1H decoupling. ProdigyTM ultra-high sensitivity
  • Multinuclear broadband cryoprobe for 1H, 19F, 31P to 15N observation
  • Control temperature unit (from -150 °C to 150 °C)


  • All standard 1D and 2D gradients experiments
    - 1H, 13C experiments
    - 2D correlation between 1H-1H: COSY, NOESY, ROESY, TOCSY
    - 2D correlation between 1H-X: HSQC, HMBC, HMQC, H2BC

Person In-Charge: Ms. Ainnul at