Abstract
AbstractThree polymorphs of calcium pyrophosphate, Ca2P2O7, are known. Here the crystal structure of γ‐Ca2P2O7 is described for the first time. The crystal structure could be solved from powder X‐ray data. The results were confirmed by 31P high‐resolution solid‐state NMR spectroscopy measurements and by quantum chemical calculations under period boundary conditions. With the help of spin‐echo experiments the 2J(31P,31P) coupling for the P−O−P bonds could be determined. The different polymorphs can unambiguously be identified from 31P magic‐angle‐spinning NMR spectroscopy. The 31P NMR chemical shift parameters of α‐, β‐ and γ‐Ca2P2O7 were determined from magic‐angle‐spinning experiments at slow spinning frequencies, while a peak assignment was achieved on the basis of gipaw‐calculations and confirmed by the observed J‐coupling values. The polymorph γ‐Ca2P2O7 belongs to the structure type of Cd2P2O7 in the space group (a=6.6660 (2) Å, b=6.7220 (2) Å, c=6.7374 (2) Å, α=65.113 (2)°, β=87.763 (2)°, γ=85.076 (2)°).
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Zeitschrift für anorganische und allgemeine Chemie
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
