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Investigation of structural relations among the compounds in the ICSD using geometry based comparison techniques

MPS-Authors
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Schön,  J. C.
Abteilung Jansen, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Nanoscale Science (Klaus Kern), Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons279936

Fischer,  D.
Abteilung Jansen, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Solid State Quantum Electronics (Jochen Mannhart), Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons280091

Jansen,  M.
Abteilung Jansen, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Sultania, M., Schön, J. C., Fischer, D., & Jansen, M. (2012). Investigation of structural relations among the compounds in the ICSD using geometry based comparison techniques. Structural Chemistry, 23(4), 1121-1129.


Cite as: https://hdl.handle.net/21.11116/0000-000E-C2E2-7
Abstract
We investigate the structural relations among the inorganic crystalline compounds listed in the ICSD using a geometry based similarity criterion. Using MYSQL-language based codes together with the structure comparison algorithm CMPZ, we classify the ordered crystalline structures contained in the ICSD into structure families, and explore the relations among these structures and structure families.