Hydrogen bonding in the crystal structure of phurcalite, Ca2[(UO2)3O2(PO4)2]·7H2O: single-crystal X-ray study and TORQUE calculations

Plášil, J.; Kiefer, B.; Ghazisaeed, S.; Philippo, S.

doi:10.1107/S2052520620005739

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 2
Crystal structure of phurcalite. (a) Uranyl phosphate sheet of the phosphuranylite topology containing UO₂²⁺ coordinated both as UO₇ (U1 and U2) and UO₈ bipyramids. (b) Stacking of the sheets perpendicular to b. Adjacent sheets are linked by an extensive hydrogen bonding network (bonds are omitted for clarity). Color scheme: U is yellow, P is pink, Ca is violet, O is red, H is gray; unit-cell edges are outlined as black solid lines.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 76| Part 3| June 2020| Pages 502-509

https://doi.org/10.1107/S2052520620005739

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