Multipurpose X-ray diffraction system

Multipurpose X-ray diffraction system

Ultima IV

The Ultima IV represents the state-of-the-art in multipurpose X-ray diffraction (XRD) systems. Incorporating Rigaku's patented cross beam optics (CBO) technology for permanently mounted, permanently aligned and user-selectable parallel and focusing geometries, the Ultima IV X-ray diffractometer can perform many different measurements...fast.

Engineered for Performance

With a multipurpose diffractometer, performance is measured by not only how fast you perform an experiment but also how fast you can switch between different types of experiments. Individual experiments are optimized with accessories like the D/teX Ultra high-speed position sensitive detector system, but the speed between experiments is radically improved with the combination of the automated alignment and CBO.
Designed for Flexibility
The Ultima IV is the only XRD system on the market today that incorporates fully automatic alignment. When coupled with CBO and the in-plane arm, the automatic alignment capability makes the Ultima IV X-ray diffractometer the most flexible system available for multipurpose applications.
Functionality Redefined
In the Ultima IV XRD system, CBO technology eliminates time spent switching geometries, enables everyday users to run both sets of experiments without the need to reconfigure the system, and reduces wear and possible optic damage associated with the recurrent switching process. CBO and automatic alignment combine for the ultimate in functionality for: micro-crystalline diffraction, thin-film diffraction, small angle scattering, and in-plane scattering.

Features:

  • Full automated alignment under computer control.
  • Optional in-plane diffraction arm for in-plane measurements without reconfiguration.
  • Focusing and parallel beam geometries without reconfiguration.
  • SAXS capabilities.
  • Optional D/teX Ultra high-speed, position-sensitive detector system.

Ultima IV specifications

X-ray generator Maximum rated output 3 kW
Rated tube voltage 20 - 60 kV
Rated tube current 2 - 60 mA
Target Cu (others: optional)
Focus size 0.4 x 12 mm (others: optional)
Goniometer Scanning mode θs/θd coupled or θs, θd independent
Goniometer radius 285 mm
2θ measuring range -3 to 162° (maximum)
Minimum step size 0.0001°
Optics Divergence slit Fixed or automatic variable
Scattering slit Fixed or automatic variable
Receiving slit Fixed or automatic variable
Optics alignment Automatic alignment of tube height, goniometer, optics and detector
Monochromator Dual position graphite diffracted beam monochromator for Cu (others: optional)
Detector Detector Scintillation counter (others: optional)
Dimensions H x W x D 1600 x 1100 x 800 mm
Sample height 1050 mm

Ultima IV accessories

Anton Paar TTK 450 Low Temperature Chamber

Sample cooling and heating stage with liquid nitrogen cooling. Large temperature range and ease of use for a wide range of applications. With beam knife and optional zero background sample holder for investigation of organic materials at low 2θ angles.

Temperature range: -193 °C to 450 °C
Atmospheres: air, inert gas, vacuum(10⁻² mbar)

Anton Paar HTK 2000N High-Temperature Chamber

High-temperature sample heating stage with strip heater for powder XRD of refractory materials. The use of a tungsten strip offers extremely high temperature and fast heating and cooling, the strip pre-stressing mechanism ensures high sample position stability.

Temperature range:

with W-strip: 25 °C to 2300 °C in vacuum
with Pt -strip: 25 °C to 1600 °C in air, vacuum

Atmospheres: vacuum(10⁻⁴ mbar), inert gas, air

Anton Paar HTK 16N High-Temperature Chamber

High-temperature sample heating stage with strip heater for powder diffraction. Allows for very fast heating and cooling and ensures high sample position stability with heating strip pre-stressing.

Temperature range:

with Pt-strip: 25 °C to 1600 °C in air, vacuum
with Ta and C-strip: 25 °C to 1500 °C in vacuum

Atmospheres: air, inert gas, vacuum(10⁻⁴ mbar)

Anton Paar HTK 1200N High-Temperature Oven Chamber

High-temperature heating stage for powders and polycrystalline solid samples. Heating to 1200 °C in air and vacuum possible.

Main features:

  • furnace heater for good temperature uniformity
  • sample spinning for good data quality
  • capillary option for transmission XRD
  • easy sample loading

Temperature range: 25 °C to 1200 °C
Atmospheres: air, inert gas, vacuum(10⁻⁴ mbar)

Advanced thin film attachment

Multipurpose attachment for the precise alignment of thin film samples. Fully automated alignment provides extreme ease in the positioning of samples for X-ray reflectivity, in-plane diffraction, and orientation analysis. Utilizes the Rx/Ry design for the most flexible reciprocal space scanning options.

Reactor X high temperature attachment for reactive gases

Reactor X allows measurements to be performed under high temperature (RT - 1000°C) in vacuum, inert gas, reactive gas, or mixture of these. Infrared heating enables rapid heating and cooling of the sample and use of wide variety of sample holders so that a suitable sample holder material can be selected according to the combination of the sample, gas, and applied temperature.

Low & medium temperature attachment

Automated variable temperature stage for in-situ X-ray diffraction measurements of materials at low and elevated temperatures (-180°C to 350°C). The stage may be operated in air, gas, vacuum, or under liquid nitrogen cooling conditions. The sample is heated radiantly for reduced heat gradients within the sample. Automated z translation within the stage assures precise sample positioning even in the presence of thermal expansion of the sample.

HT 1500 high temperature attachment

Automated variable temperature stage for in-situ X-ray diffraction measurements of materials at ambient and elevated temperatures (up to 1500°C). The stage may be operated in air, gas, vacuum, or under inert gas such as helium or nitrogen. The sample is heated radiantly for reduced heat gradients within the sample. Automated z translation within the stage assures precise sample positioning even in the presence of thermal expansion of the sample.

PDXL is a one-stop full-function powder diffraction analysis software suite. The modular design, advanced engine and user-friendly GUI have been satisfying both experienced and novice users since PDXL was released in 2007.

PDXL provides various analysis tools such as automatic phase identification, quantitative analysis, crystallite-size analysis, lattice constants refinement, Rietveld analysis, ab initio structure determination, etc.

Fundamental parameter method

The peak shape in a powder diffraction pattern would appear to be a delta function if measured under ideal conditions. In reality, the peak shape changes depending on a number of measurement conditions: wavelength distribution of the source, optical systems, slit conditions, crystallite size and strain, and so on. The peak shapes obtained from measurements made under real-world conditions are described using an empirical function such as a split pseudo-Voigt function, or a split Pearson VII function which has a good agreement with the obtained peak shapes. The fundamental parameter method (FP method) is a method to calculate peak shape by convolution of the shapes caused by all the instrumental and sample conditions.

Phase identification using COD

The Crystallography Open Database (COD) is a free, public-domain database of the crystal structures published in International Union of Crystallography, Mineralogical Society of America and so on. PDXL can incorporate both ICDD/PDF-2 and COD to perform automatic phase identification, adding the COD library of over 150,000 crystal structures to PDXL 2’s already substantial capabilities.
Wizard for ab initio crystal structure analysis
Recently, there have been many published examples of ab initio crystal structure analysis performed on powder diffraction data. This development is attributed primarily to significant improvements in PC processing speed and in the efficiency of the algorithms used for structure determination.

PDXL has so far provided all of the functions required for ab initio crystal structure analysis, such as indexing, structure determination and structure refinement by the Rietveld method. Now the “Structure Analysis Wizard” is available in PDXL to provide support and guidance for users undertaking the complicated procedure of structure analysis, particularly of organic compounds. This wizard system will make it possible for even the beginner to achieve analytical success

Clustering function
The PDXL clustering feature can group multiple scan data based on the similarity of powder diffraction patterns and peak positions, and displays the grouped data in an easy-to-read tree. This is particularly effective when it comes to classifying and screening the data from a large number of scans.

  • Search/Match analysis with PDF-2 and Crystallography Open Database
  • Quantitative analysis
  • Percent crystallinity
  • Crystallite size and strain
  • Cell refinement
  • Residual stress
  • Indexing
  • Whole pattern profile fitting
  • Ab initio structure solving with wizard
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