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Introduction

X-ray Diffraction (XRD) is a primary technique for analyzing material composition and internal atomic/molecular structure by examining X-ray diffraction patterns.
XRD offers non-destructive, rapid, and high-precision analysis of phase and crystal structures.
Widely used in the fields of materials science, chemistry, physics, and geology.

Technical Advantages

Non-destructive: XRD does not damage the sample, making it suitable for the analysis of valuable specimens.
High resolution: It provides highly accurate measurement results.
Rapid analysis: Compared to traditional wet chemical methods, XRD offers much faster analysis.
Information-rich: XRD delivers extensive information about the crystal integrity and structure of the material.

Principle

Powder XRD utilizes the principle of X-ray diffraction by crystal planes in a material. When a monochromatic X-ray beam irradiates a polycrystalline powder sample, the crystallites are oriented in all possible directions. Crystal planes that satisfy Bragg’s Law will produce diffraction. Bragg’s Law is expressed as:
𝑛𝜆=2𝑑sin𝜃
where 𝑛 is the order of diffraction, 𝜆 is the X-ray wavelength, 𝑑 is the interplanar spacing, and θ is the incident angle.

Test procedure

Sample Preparation: Grind the material to be tested into a fine powder and evenly spread it on the sample holder.
Data Collection: The X-ray tube emits X-rays onto the sample, and the detector scans at specific angles, recording the diffraction intensity at different 2θ angles.
Data Analysis: In the obtained diffraction pattern (XRD pattern), each diffraction peak corresponds to a specific crystal plane. By analyzing the positions and intensities of the peaks, the crystal structure and phase composition of the material can be determined.

Technical Comparison

The following table presents a comparative overview of several commonly used structural and compositional analysis techniques, including Powder X-ray Diffraction (Powder XRD), Single Crystal X-ray Diffraction (Single Crystal XRD), Electron Diffraction, Raman Spectroscopy, and Infrared Spectroscopy. It summarizes the measurable content, suitable sample types, advantages, limitations, and main application fields of each method.

Technique	Measurable Content	Suitable Sample Types	Advantages	Limitations	Main Application Fields
Powder XRD	Crystal structure, phase composition, crystallinity, grain size	Powders, polycrystalline solids	Simple sample preparation, rich information, non-destructive	Insensitive to amorphous materials, quantitative analysis of complex mixtures is difficult	Materials science, inorganic chemistry, minerals, pharmaceuticals

Technique	Measurable Content	Suitable Sample Types	Advantages	Limitations	Main Application Fields
Powder XRD	Crystal structure, phase composition, crystallinity, grain size	Powders, polycrystalline solids	Simple sample preparation, rich information, non-destructive	Insensitive to amorphous materials, quantitative analysis of complex mixtures is difficult	Materials science, inorganic chemistry, minerals, pharmaceuticals
Single Crystal XRD	Precise 3D atomic structure	Single crystals	High structural resolution, atomic coordinates obtainable	Requires high-quality single crystals, difficult sample preparation	Molecular structure analysis, pharmaceuticals, proteins, etc.
Electron Diffraction	Crystal structure, orientation, defects	Thin films, nanomaterials	Micro-area analysis, high spatial resolution	Requires electron microscope, sample must withstand electron beam	Nanomaterials, semiconductors, catalysts
Raman Spectroscopy	Molecular structure, chemical bonds, crystal form	Various solids, liquids	Non-destructive, easy operation, can analyze organic/inorganic	Sensitive to water, fluorescence interference	Materials, chemistry, pharmaceuticals, minerals
Infrared Spectroscopy	Molecular structure, functional groups	Various solids, liquids	Easy operation, sensitive to organics	Not sensitive to inorganic crystal structure	Organic chemistry, polymers, pharmaceuticals

Because the powder sample needs to fully cover the entire sample holder; otherwise, the X-rays may hit the holder itself, which would affect the data quality.

Because the size of the sample holder for bulk samples is fixed, and the sample is fixed in place with modeling clay. If the sample is too large, it won’t fit; if it’s too small, it’s difficult to secure.

Diffraction peak width: Smaller particle sizes lead to broader diffraction peaks because smaller crystal sizes cause more crystal defects and grain boundaries, increasing the peak width.
Diffraction peak intensity: Smaller particle sizes result in weaker peak intensities because the atomic scattering within smaller crystals is reduced.
Diffraction peak position: Smaller particle sizes can cause peak shifts because lattice distortion from smaller crystals changes the lattice parameters.
Calculation of relative content: In quantitative analysis, smaller particle sizes can introduce errors in the calculation of relative content, as the weakened peak intensity affects the accuracy of the results.

The intensity of the diffraction peaks mainly depends on the crystallinity of the sample itself. It is also related to the amount of sample and the power of the instrument.

The copper target is one of the most commonly used XRD anode materials. Its main feature is that it produces X-rays with a wavelength of 1.5406 Å (the Cu Kα line), which is the most commonly used wavelength in XRD experiments. The advantages of the copper target are its high X-ray intensity, suitability for most sample analyses, relatively low cost, and ease of acquisition and maintenance.
The cobalt target produces X-rays with a wavelength of 1.7902 Å (the Co Kα line). The main advantage of the cobalt target is its higher energy, making it suitable for analyzing samples with higher atomic numbers, and it is especially suitable for materials with Fe as the main component.

application

Materials Science, Polymers, Glass, Ceramics: Structural and Property Characterization
Analyze lattice parameters and crystal structure types, identify crystal defects, and provide essential data for the design and performance optimization of advanced materials.
Pharmaceuticals: Polymorphism Research and Development
Elucidate the crystal structures of pharmaceutical compounds to improve stability, solubility, and bioavailability, supporting optimized drug formulation.
Chemical and Energy Industries: Structural Analysis and Performance Optimization
Investigate the phase composition, grain size, and surface structure of catalysts and energy materials; analyze the impact of structural defects on performance to guide the development of high-efficiency materials.
Geology, Mining, Mineralogy: Mineral Phase Identification and Quantification
Accurately identify mineral species and determine their relative abundances in geological samples, supporting resource evaluation and optimization of processing techniques.

Categories

Material testing

Regulatory testing

Environmental testing

Data analysis

Categories

Material testing

Regulatory testing

Environmental testing

Data analysis

Sample Requirements

Application Case

Example Result

What our customers are saying

Need precise analysis? Contact us – we'll help you choose the best solution for your needs.

Frequently Asked Questions

Powder XRD Measurement

Variant (SKU)

Please contact us for price quotation

Introduction

Introduction

Technical Advantages

Principle

Principle

Test procedure

Test procedure

Technical Comparison

application

1. Test data:

2. Source file: image opened with Jade:

Conclusions

Sample requirements

Categories

Material testing

Regulatory testing

Environmental testing

Data analysis

Categories

Material testing

Regulatory testing

Environmental testing

Data analysis

Sample Requirements

Application Case

Example Result

What our customers are saying

Need precise analysis? Contact us – we'll help you choose the best solution for your needs.

Frequently Asked Questions

Powder XRD Measurement

Variant (SKU)

Please contact us for price quotation

Introduction

Introduction

Technical Advantages

Principle

Principle

Test procedure

Test procedure

Technical Comparison

Click here to view full Technical Comparison

Why is a slightly larger amount of powder sample required for XRD testing?

Why does XRD testing require the bulk sample size to be appropriate?

How does the particle size of the sample affect the test results?

Why are the peak intensities in XRD data sometimes low, or why are there no obvious diffraction peaks?

What are the differences between copper and cobalt targets, and when are they used?

application

1. Test data:

2. Source file: image opened with Jade:

Conclusions

Sample requirements