Crystallography Resources (Links)
- UTD Single Crystal XRD Sample Submission Form
- UTD X-ray Safety Course
- What is Single-Crystal X-ray diffraction…?
- Crystallography Referee Access Structure
- Space Group List
- SHELX Cards
- PLATON Sub Keywords
Software for Single Crystal XRD Analysis
Software for Powder XRD Analysis
Software for Visualization
Software for Crystal Structure Analysis
Software for Charge Density Analysis
Crystal Growth-related Papers and Tutorials
- Some thoughts about the single-crystal growth of small molecules
- Growing crystals that will make your crystallographer happy
- Crystal growing
- Websites about crystallization
- Chemistry and crystal growth
- Crystal growth, evaluation and handling
- Crystal handling at low temperatures
- Growing single crystals
- Advice for crystallization
- Crystallization in gels
- A simple method to perform liquid diffusion crystallization
- Crystallization of low-molecular-weight organic compounds for X-ray crystallography
- Solvents and X-ray crystallography
- Growth and characterization of small molecule organic crystals
- Crystallization (book)
- Crystals and crystal growing (book)
- Growing single crystals of small molecules by thermal re-crystallization, a viable option even for minute amounts of material?
X-ray Crystallography, Crystal Structure Solution and Refinement Notes & Tutorials
- Crystallography teaching pamphlets IUCr
- Structure Solution
- What is a crystallographer?
- The SHELX manual/*
- Crystal structure refinement with SHELX
- Crystal structure refinement: a crystallographer’s guide to SHELX
- Refinement of X-ray crystal structures
- New tricks of the trade for crystal structure refinement
- Solving & refining structures with WinGX
- Structure Solution and Refinement with Olex2
- Practical suggestions for better crystal structures
- Crystal structure determination: a critical view
Online Crystallographic Software/Tools
- Topology finder
- Lattice Pseudosymmetry Calculation
- Bravais Lattice Determination Interface
- Final CIF – Finalize CIF without hassle
- Crystal Toolkit (coordination environment)
- Anomalous Scattering Coefficients
- CIF Merging
- DNA Sequence to Structure
- Database of Ionic Radii
Advanced Single Crystal Analysis Tutorials
- Analysis of crystals twinned by non-merohedry (cell_now and twinabs are included)
- Treating non-merohedrally twinned crystal data
- Refinement of disorder with SHELXL
- Instruction for using PLATON squeeze for disorder
- Atomic form factors calculation
Advanced Crystallographic Papers/Notes/Chapters
- Computing Rcomplete and Tickle’s conjecture
- Triplet and quartet relationships and the `positivity’ postulate
- Location of Terminal Hydride Ligands in Transition Metal Hydrides
- The mean-square Friedel intensity difference in P1 with a centrosymmetric substructure
- Absolute structure and absolute configuration
- Reporting and evaluating absolute-structure and absolute-configuration determinations
- Partial Polar Ambiguity
- Topological Analysis using ToposPro
- Troublesome Crystal Structures: Prevention, Detection, and Resolution
- Distortions, deviations and alternative facts: reliability in crystallography
- Molecule-in-Cluster computations for Disorder
- A Beginner’s Guide to Radiation Damage
Video Tutorials
- LT SC-XRD simulated to RT powder pattern (Refinement for both thermal expansion and phase change)
- MIT Open Course-Ware: Introduction to Crystallography
- Single Crystal Diffractometer 3D Model
Powder Diffraction, Concept and Tutorials
- Basics of X-ray Diffraction
- Ab initio structure determination via powder X-ray diffraction
- Direct space methods of structure determination from powder diffraction: principles, guidelines and perspectives
- Principles and applications of powder diffraction (Book)
- Solving Crystal Structure from Powder Diffraction Data (Chapter)
- Powder structure determination through direct method
- Tutorial on magnetic structure determination and refinement using neutron powder diffraction and FULLPROF
- Powder Diffraction Structure Determination and Refinement (Basic insight)
- IUCr newsletter: Structure determination from powder diffraction data
- Extinction symbols and corresponding space groups
Useful Websites and Databases Related to Crystallography
- Database of Educational Crystallographic Online Resources (DECOR)
- checkCIF
- CCDC
- Crystallography Open Database
- ICDD
- ICSD
- IUCr
- SHELX
- International Tables for Crystallography
- X-ray Data Booklet
- CrystaLinks – A crystallographer’s miscellany
- Symmetry
- Absolute Structure Determination – Hooft
- Space Group Details
- Bilbao Crystallographic Server
- Crystal and Structural Chemistry, Utrecht University
- Council for Scientific Research – Crystallography
- Finalize CIF files without hassle
- X-ray Anomalous Scattering
- X-ray diffraction laboratory, TAMU
- Molecular and Solid State Physics (Crystallography, Spectroscopy and Solid-State Chemistry/Physics)
- Statistical Descriptors in Crystallography
- Crystallography for High-School Students
- Concise Space-Group Symbols
Crystal Picking & Mounting Tools & Oils
- TAMU
- TED PELLA, INC
- MiTeGen: Crystal Mounts and Loops
- Paratone-N Oil
- NVH Oil for RT Analysis
- Low-Temp Basin
Microscopy in Crystal Harvesting