--- type: "WebPage" title: "Determination of crystallite sizes in the laboratory by XRD" description: "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, composites and minerals. It is generally not applicable to liquids. Furthermore,..." resource: "https://filab.fr/en/our-technical-resources/x-ray-crystallography-laboratory-xrd/determination-crystallite-sizes/" tags: ["EN", "pll_69663f5eed270", "Thomas GAUTIER"] timestamp: "2026-02-03T07:25:50Z" published: "2026-01-13T13:43:38Z" language: "en" author: "Laure Durieux" --- # Determination of crystallite sizes in the laboratory by XRD ## Optimize your materials: expertise in crystallite size determination [X-ray diffraction (XRD)](https://filab.fr/en/our-technical-resources/x-ray-crystallography-laboratory-xrd.md) is a method of physicochemical analysis. This analysis is exclusively for crystalline materials, such as minerals, [metals](https://filab.fr/en/our-services/our-analysis-services/metallurgical-analysis-laboratory/laboratory-analysis-metals.md), [ceramics](https://filab.fr/en/our-services/our-analysis-services/polymer-materials-analysis-laboratory/laboratory-material-testing/laboratory-ceramic-testing/), [composites](https://filab.fr/en/our-services/our-analysis-services/laboratory-analysis-composite-material/) and minerals. 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](https://filab.fr/en/our-services/our-analysis-services/polymer-materials-analysis-laboratory/laboratory-material-characterization/laboratory-analysis-silica-products/), [steel](https://filab.fr/en/our-services/our-analysis-services/metallurgical-analysis-laboratory/laboratory-of-analysis-and-expertise-of-steels.md), 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)**](https://filab.fr/en/our-technical-resources/x-ray-crystallography-laboratory-xrd.md) to characterize your powders and bulk materials with absolute precision. ## Our methods for characterizing crystallites Thanks to a state-of-the-art analytical system comprised of 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](https://filab.fr/en/our-services/our-expertise-services/quality-control-analysis-laboratory.md). ### 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](https://filab.fr/en/our-services/our-analysis-services/laboratory-analysis-powder-characterization/analysis-characterization-pah-powders-nf-iso-13779-3.md): 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 [API polymorphism analysis by XRD and DSC](https://filab.fr/en/sectors-of-activity/health-pharmaceutical-cosmetics/study-of-the-polymorphism-of-an-api-by-drx-and-dsc.md) Material [purity](https://filab.fr/en/our-services/our-expertise-services/laboratory-analysis-deposit-contamination/purity-analysis-laboratory.md) control [Evidence of residual austenite](https://filab.fr/en/blog/2025/11/quantification-of-residual-austenite-by-xrd.md) [XRD training](https://filab.fr/en/our-services/rd/laboratory-analytical-chemistry-training/training-drx-laboratories.md) Identification of chemical compounds [Powder crystallinity analysis by XRD](https://filab.fr/en/our-services/our-analysis-services/laboratory-analysis-powder-characterization/characterizeation-powders-xrd-laboratory.md) Determination of residual stresses ### 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 What is a crystallite and how does it differ from a grain? 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. Why is crystallite size a determining parameter? 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. What is the difference between the Scherrer method and the Halder-Wagner method? - **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. What does the WPPF method offer compared to traditional methods? 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. What types of samples can you analyze? 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. How can I get a quote for determining crystallite sizes? To get a quote within 24/48 hours you can contact our teams using the contact form on this page.