Crystallography (CRY)

Section Information

Crystallography focuses on determining the arrangement of atoms in solids and understanding how structure influences the physical, chemical, and functional properties of materials. It underpins research across chemistry, physics, biology, geology, and materials science.

Modern crystallography uses X-ray, neutron, and electron diffraction, spectroscopy, imaging, and computational modeling to analyze crystalline and semi-crystalline materials. These techniques reveal symmetry, defects, molecular interactions, and structural changes under different conditions.

This section will publish research articles, short communications, and reviews on crystal structures, diffraction methods, materials characterization, structural biology, computational crystallography, and applications that rely on precise structural information.

Scope

Crystal Growth, Forms, and Defects
- Growth mechanisms and crystallization processes
- Crystal habits, polymorphism, and phase transitions
- Defects, disorder, and imperfections in crystals
- Influence of growth conditions on crystal quality
X-ray, Neutron, and Electron Diffraction
- Single-crystal and powder diffraction techniques
- Structure determination and refinement methods
- Time-resolved and in situ diffraction studies
- Neutron and electron scattering for complex materials
Crystal Structures and Structural Chemistry
- Bonding, coordination, symmetry, and packing
- Supramolecular interactions and crystal engineering
- Polymorphs, co-crystals, and multicomponent systems
- Structure–property relationships in functional materials
Biological and Macromolecular Crystallography
- Protein and nucleic acid crystallization
- Structure determination of macromolecules
- Ligand binding, conformational changes, and dynamics
- Applications in drug design and molecular mechanisms
Materials Crystallography
- Crystalline materials for electronics, optics, and energy
- Nanocrystals, thin films, and hybrid materials
- Crystallographic studies under extreme conditions
- Structure analysis of amorphous and semi-crystalline systems
Computational and Theoretical Crystallography
- Modeling and prediction of crystal structures
- Density functional theory and molecular simulations
- Algorithms for structure refinement and data analysis
- Machine learning and data-driven crystallography
Instrumentation, Methods, and Data Analysis
- Instrumentation advances in diffraction and imaging
- Data processing, refinement, and visualization tools
- Standards, archiving, and crystallographic databases
- Error analysis, reproducibility, and best practices
Applied Crystallography
- Pharmaceuticals, minerals, and industrial materials
- Crystallography in catalysis, sensors, and nanotechnology
- Structure-guided material design and optimization
- Forensic, archaeological, and geological applications