C4.0. Overview
The “Crystal Database” feature provides search and import functions for approximately 21,000 crystal structures.
This database is based on the “American Mineralogist Crystal Structure Database”. When using this crystal data, please read http://rruff.geo.arizona.edu/AMS/amcsd.php carefully and be sure to cite the following reference:
Downs, R.T. and Hall-Wallace, M. (2003) The American Mineralogist Crystal Structure Database. American Mineralogist 88, 247-250.
C4.1. Search Results Table
Displays the crystals contained in the database. If search conditions have been entered, only crystals matching the specified conditions are displayed.
When you select any crystal in the table, the crystal information is transferred to the “Crystal Information” section of the main window. If you want to add it to the “Crystal List”, press the “Add” or “Replace with selected crystal” button.
C4.2. Search Options
Enter the search conditions. After entering, press the “Search” button or the Enter key.
Name
Enter the name of the crystal to search for.
Element
Pressing the “Periodic Table” button opens a separate window. Here you select the elements to search for. Each element button toggles its state with each press.
Pressing the “may or not include”, “must include”, or “must exclude” buttons at the top of the window toggles the state of all elements.
Reference
Enter the paper title, journal name, or author name of the publication in which the crystal of interest is described.
Crystal System
Enter the crystal system of the crystal to search for.
Lattice Constants
Enter the lattice constants and the allowable tolerance of the crystal to search for. Items with a value of zero are ignored during the search.
d-value
Enter the d-spacing of crystal planes that the crystal to search for may have, along with the allowable tolerance.
If “Ignore scattering factor” is not checked, the search targets are the crystal planes with the highest intensities (up to the top 20) in the powder diffraction pattern assuming a Cu Kα X-ray source.
If “Ignore scattering factor” is checked, the search is performed against all possible crystal planes of the crystal, regardless of the structure factor values.
Density
Enter the density and allowable tolerance of the crystal to search for.