Optimize your materials: expertise in crystallite size determination
X-ray diffraction (XRD) is a method of physicochemical analysis. This analysis is exclusively for crystalline materials, such as minerals, metals, ceramics, and composites. It is generally not applicable to liquids. Furthermore, X-ray diffractometry allows for the differentiation of products with the same basic chemical composition but different crystallization patterns, particularly in materials such as silica, steel, and alloys.
Understanding the infinitely small to guarantee the performance of your products
Determination of crystallite sizes
In the development of high-tech materials, crystallite size is a critical parameter that directly influences the mechanical, chemical, and optical properties of your products. Our laboratory offers cutting-edge expertise in X-ray Diffraction (XRD) to characterize your powders and bulk materials with absolute precision.
Our methods for characterizing crystallites
Using our Rigaku Miniflex 600 diffractometer, our laboratory offers three levels of analysis to meet your requirements:
Scherrer's formula: a quick analysis
Ideal for direct estimation on an isolated peak. This method relates the broadening of a diffraction peak to the average size of the crystallite. It is the perfect tool for efficient and rapid quality control.
Halder-Wagner method: size/deformation separation
Unlike Scherrer's method, this approach uses multiple peaks to distinguish between two often-confused phenomena:
- broadening due to the fineness of the crystallites.
- broadening due to micro-strains of the crystal lattice.
This is the method of choice for materials that have undergone mechanical or thermal stress.
WPPF (Whole Powder Pattern Fitting) method: statistical excellence
Based on fitting the complete diffractogram profile, this advanced method allows:
- obtaining a size distribution rather than a simple average.
- accurately modeling crystal shapes.
- overcoming peak overlap in complex mixtures.
The FILAB laboratory assists manufacturers in determining crystallite sizes
Analysis according to ISO 13779-3: Crystallinity, Ca/P ratio and quantification of foreign phase on Hydroxyapatite (powder or sprayed form on medical device)
Crystalline defect analysis
Study of the properties of a material
Determination of crystalline impurities
Study of phase transformations
Why choose FILAB for crystallite size determination?
High resolution: utilizing the D/teX Ultra 2 detector for ultra-precise peak profile detection.
Rigorous instrumental correction: each analysis incorporates the subtraction of instrumental broadening (via an external standard such as Silicon) to measure only the true characteristics of your material.
Technical support: our experts interpret the data for you (divergence slits, roughness, preferred orientation) to transform a diffraction signal into strategic data.
FAQ
A crystallite is the smallest domain of matter exhibiting a perfect and continuous crystalline structure (a single crystal). A grain (a term often used in metallurgy) can consist of a single crystallite or an aggregate of several crystallites. XRD specifically measures the size of these coherent diffraction domains.
The size of crystallites directly influences macroscopic properties:
- Mechanical: the smaller the crystallites, the harder the material generally is (Hall-Petch law).
- Chemical: a smaller size increases the specific surface area, which accelerates reactivity or solubility (crucial in pharmaceuticals).
- Electrical: in batteries, it impacts the kinetics of ion diffusion.
Scherrer's method: this is the simplest approach. It assumes that peak broadening is solely due to crystallite size. It is ideal for rapid estimation.
Halder-Wagner method: this method is more rigorous because it distinguishes between two causes of broadening: the fineness of the crystallites and micro-strains of the atomic lattice. It requires the analysis of several diffraction peaks.
The WPPF (Whole Powder Pattern Fitting) method analyzes the entire diffractogram rather than a few isolated peaks. It allows us to:
- obtain a size distribution (mean, standard deviation) rather than a single value.
- better handle samples where peaks overlap.
- integrate the actual shape of the crystallites into the mathematical model.
Thanks to the geometry of our Rigaku Miniflex 600, we can analyze:
- Powders (fine or coarse).
- Bulky materials (metal parts, ceramics, polymers).
- Thin films or surface deposits.
To get a quote within 24/48 hours you can contact our teams using the contact form on this page.
