Structures of dipotassium rubidium citrate monohydrate, K2RbC6H5O7(H2O), and potassium dirubidium citrate monohydrate, KRb2C6H5O7(H2O), from laboratory X-ray powder diffraction data and DFT calculations

Structures of dipotassium rubidium citrate monohydrate, K2RbC6H5O7(H2O), and potassium dirubidium citrate monohydrate, KRb2C6H5O7(H2O), from laboratory X-ray powder diffraction data and DFT calculations

The crystal structures of the isostructural compounds dipotassium rubidium citrate monohydrate, K2RbC6H5O7(H2O), and potassium dirubidium citrate monohydrate, KRb2C6H5O7(H2O), have been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniqu...

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Bibliographic Details
Main Authors: Andrew J. Cigler, James A. Kaduk
Format: Article
Language:English
Published: International Union of Crystallography 2020-10-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
powder diffraction
citrate
potassium
rubidium
density functional theory
crystal structure
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020011846

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http://scripts.iucr.org/cgi-bin/paper?S2056989020011846

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