Database of open-framework aluminophosphate structures.

ABSTRACT: Open-framework aluminophosphates are an important class of inorganic crystalline compounds because of their rich structural chemistry and diverse properties. We have collected 312 open-framework aluminophosphate crystal structures from published literature and established a database for these structures. For each aluminophosphate structure, we have assigned a unique index code and extracted its key chemical and crystallographic information from the original literature and the associated CIF file, such as the name, chemical formula, extra-framework species, Al/P ratio, space group, and unit cell parameters of the compound. More importantly, we have calculated the topological features for each aluminophosphate framework, including local connectivity, framework dimension, coordination sequenc

SUBMITTER: Zheng C 

PROVIDER: S-EPMC7109073 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature