Crystallography Resources 

What is Single Crystal X-ray diffraction...?

Crystallography Tree

Crystallography Referee Access Structure 

Forthcoming Crystallographic Meetings

Crystallography Horror Museum

SOP – Bruker Quest Diffractometer with sealed tube Mo source

Space Group List

SHELX Cards

PLATON Sub Keywords

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

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

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

Important software for crystallography and charge density computing…

·         SHELX     WinGX     PLATON   ORTEP     Olex2     XSeed     ShelXle     XSHELL    SAINT     SADABS     DirAx     XPREP     RLATT     CELL_NOW      TWINABS       checkCIF     enCIFer     Mercury     ConQuest     Vista     Structure Finder     CellCheckCSD     EXPO-2014     TOPAS      TOPAS-Academic    GSAS     Reflex    FullProf      EXPO-2014     DASH     TREOR     DICVOL     McMaille     ChekCell     PowderCell     HKL5 Tools     2twin     PIXEL    Oscail     NCImilano               Crystal Explorer   XD2016      MoPro    AIMALL     Chemcraft     Avogadro     VESTA     Ghostscript     GSview     FinalCIF 

Online Software...

·         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

Important 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

·         Department of chemistry & biochemistry chemical crystallography laboratory - University of Oklahoma

·         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

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

Advanced 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 

Crystal Picking & Mounting Tools & Oils...

.   TAMU List by Joseph Reibenspies

.         TED PELLA, INC

.         MiTeGen: Crystal Mounts and Loops

.         Paratone-N Oil

.         NVH Oil for RT Analysis

.         Low-Temp Basin

Microscopy...

.         Birefringent Crystals in Polarized Light

.         Polarized Light Microscopy   

General...

.         NMR Database

.         NMR Solvent Peaks 1

.         NMR Solvent Peaks 2

.         Miscibility of Solvents

.         JOES Judd Ofelt Software for Eu3+    

.         LUMPAC Judd Ofelt Software for all the lanthanides

.         LED Color Calculator

Postdoctoral Fellowships...

.         Miller Postdoctoral Fellowships

.         CHASE Postdoctoral Fellowships

.         Penn’s Provost’s Postdoctoral Fellowship [US citizens or permanent residents]

.         CHOP Postdoctoral Fellowship [US citizens or permanent residents]

.         PennPort Postdoctoral Fellowship [US citizens or permanent residents]

.         Vagelos Institute Postdoctoral Fellowship

.         NSF eFellow Postdoctoral Fellowship [US citizens or permanent residents]

.         Agilent Postdoctoral Fellowships

.         President's Postdoctoral Fellowship Program, UMN