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Crystallography Resources @ Caltech: Inorganic

A guide to resources available at Caltech - these are discussed in the Crystallography Resources Library Instruction class. This resource list was originally compiled by Dana Roth.

Inorganic Crystal Structure Database (ICSD)

The ICSD is a comprehensive collection of crystal structure data for solid state inorganic compounds, such as simple salts, silicates, oxides, etc. It contains more than 160,000 entries and covers the literature from 1915 to the present. Search options include empirical formula, ANX formula, mineral names, crystal data, and other standard bibliographic fields.

The structure viewer requires Java and JMol.

Powder Diffraction File (PDF)

Available at SFL on (Windows) Laptop #1 only

PDF- 4+ Release 2013 (software version, database version 4.1302) contains over 300,000 datasets and includes data originating from ICDD sources and collaborations with ICDD, FIZ and NIST. The compilation includes metals, minerals, inorganic compounds, and experimental organic compounds. It has been edited to include over 30 searchable diffraction and physical property fields, plus experimental preparation and literature citations. Searches can be limited to subfiles (inorganics, minerals, ceramics, metals & alloys, etc.). Search empirical formulas or elements selected from a periodic table, mineral or zeolite names or classifications, properties/structures (Pearson symbol code, space groups, color, density, MP) or author names. Data from Powder Diffraction experiments is used by CCDC to obtain atomic coordinate data.

Mineralogy-Specific Resources

Bilbao Crystallographic Server

Crystallography Open Database

Database of Zeolite Structures

Solid-State Phase Diagrams