chem-crystallography.md 3.7 KB
Crystals
- http://en.wikipedia.org/wiki/Category:Crystallography
- Mineralogy with Crystal Structure Databases
- Crystallographic database
Lattices
- https://en.wikipedia.org/wiki/Lattice_QCD
- Point group
- http://en.wikipedia.org/wiki/Crystal_system
- https://en.wikipedia.org/wiki/Bravais_lattice
- http://ecee.colorado.edu/~bart/book/bravais.htm, and the full book TOC.
- Slides on Bravais lattice and basis
- https://en.wikipedia.org/wiki/Miller_index
- https://subversion.xor.aps.anl.gov/trac/pyGSAS/wiki/LatticeComputations
- Videos - Introduction to Crystallography :: 15 lectures and handout notes given by Dr. Cora Lind for her Chem 4980/6850/8850: X-ray Crystallography course at the University of Toledo (Ohio).
- https://en.wikipedia.org/wiki/Lattice_QCD
- https://en.wikipedia.org/wiki/Category:Lattice_models
- https://en.wikipedia.org/wiki/Category:Lattice_points
CIF
- https://en.wikipedia.org/wiki/Category:Crystallography
- Chemical file formats
- http://it.iucr.org/G/
- http://www.iucr.org/resources/cif/spec/version1.1
- CIF Syntax
- Common semantic features
- James Hester, jxh at ansto.gov.au
Links
- http://www.iucr.org/resources/cif/software
- https://www.chemaxon.com/forum/viewpost15960.html
- http://www.iucr.org/resources/symmetry-font
PyCifRW
GSASII
- Old GSAS (General Structure Analysis System) - http://www.ncnr.nist.gov/xtal/software/gsas.html
- http://journals.cambridge.org/download.php?file=%2FPDJ%2FPDJ29_S2%2FS0885715614000736a.pdf&code=1061d0ddee1557b61339879b90c07d0c
- http://www.iucr.org/__data/iucr/powder/Erice2011/day2/d2/gsas.pdf
- https://subversion.xor.aps.anl.gov/trac/pyGSAS
- https://subversion.xor.aps.anl.gov/trac/pyGSAS/wiki/MiscNotes
- https://subversion.xor.aps.anl.gov/trac/pyGSAS/wiki/UnitTests
- https://mailman.aps.anl.gov/mailman/listinfo/GSAS-II
- Space Group Interpreter
Rietveld Analysis
- https://www.youtube.com/watch?v=7QD9oQQxrfI
- GSAS_Bayes :: An extension to the Rietveld package GSAS-II.
PAPERS
- http://www.researchgate.net/profile/Brian_Toby/publication/245022847_GSAS-II_The_Genesis_of_a_Modern_Open-Source_All-Purpose_Crystallography_Software_Package/links/00b7d5326ef2d330ac000000.pdf
- https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4181643/
- How to read (and understand) Volume A of International Tables for Crystallography : an introduction for nonspecialists, Zbigniew Dauter and Mariusz Jaskolski, 2011.
Software
- SasView is a Small Angle Scattering (SAS) analysis package for the analysis of 1D and 2D scattering data directly in inverse space.
- Python macros for (A)SAXS evaluation
- Guinier's equation