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Atomic structure



Crystallography Open Database

Inorganic crystal structure database: eu (demo), de (LANL)

Crystallographic and Crystallochemical Database for Mineral and their Structural Analogues

American Mineralogist Crystal Structure Database

M J Mehl, Library of Crystallographic Prototypes (Aflow)

WebCSD (Cambridge Structural Database online)

Chemical Database Service (UK National Services) – requires registration

K Kuchitsu, Structure of Free Polyatomic Molecules: Basic Data (Springer, 1998)


Crystal Structures of Inorganic Compounds (Pearson's Crystal Data), ed P Villars, K Cenzual (Springer, 2012)

T Szwacka, N G Szwacki, Basic Elements of Crystallography (Pan Stanford, 2010)

Engineering of Crystalline Materials Properties, ed J J Novoa, D Braga, L Addadi (Springer, 2008)

Making Crystals by Design, ed D Braga, F Grepioni (Wiley, 2007)

B E Douglas, S Ho, Structure and Chemistry of Crystalline Solids (Springer, 2006)

I Sunagawa, Crystals: Growth, Morphology, and Perfection (CUP, 2005)

А Уэллс, Структурная неорганическая химия (Мир, 1987)

A F Wells, Structural Inorganic Chemistry (OUP, 1984), 5ed – 4ed

J Donohue, The structures of the elements (John Wiley & Sons, 1974) – QD471.D66 1982

R W G Wyckoff, Crystal structures (John Wiley & Sons, 1963) – QD951.W8 1963

A Togo, I Tanaka, Evolution of crystal structures in metallic elements, PRB 87, 184104 (2013)

P Villars, J L C Daams, Atomic-environment classification of the chemical elements, J Alloys Compounds 197, 177 (1993)


Dutch S, Crustal materials class notes (Wisconsin U, 2011)

Crystal structure library (Purdue U) – just a gallery

ChemTube3D (U Liverpool)

P Krishna, D Pandey, Close-packed structures


ToposPro - geometrical and topological analysis of crystal structures (V Blatov, Samara SU)

RCSR - Reticular Chemistry Structure Resource (M O'Keeffe)

The Gavrog Project - Generation, Analysis and Visualization of Reticular Ornaments

Crystal Explorer - Hirshfeld surface