Title of article :
Crystal structure of the deuterated heptahydrate of potassium phosphate, K3PO4·7D2O
Author/Authors :
Weil, Matthias Institute for Chemical Technologies and Analytics - Division of Structural Chemistry - Vienna University of Technology, Austria , Stöger, Berthold X-Ray Centre - Getreidemarkt 9, Austria
Abstract :
Deuterated potassium orthophosphate heptahydrate, K3PO4·7D2O, crystallizes in the Sohnke space group P21, and its absolute structure was determined from 2017 Friedel pairs [Flack parameter 0.004 (16)]. Each of the three crystallographically unique K+ cations is surrounded by six water molecules and one oxygen atom from the orthophosphate group, using a threshold for K—O bonds of 3.10 Å. The highly irregular coordination polyhedra are linked by corner- and edge-sharing into a three-dimensional network that is consolidated by an intricate network of O—D⋯O hydrogen bonds of medium strength.
Keywords :
crystal structure , potassium phosphate , hydrogen bonding , absolute structure , hydrate
Journal title :
Acta Crystallographica Section E: Crystallographic Communications