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TlPO3 and its comparison with isotypic RbPO3 and CsPO3.

Matthias Weil
Published in: Acta crystallographica. Section E, Crystallographic communications (2020)
The crystal structure of thallium(I) catena-polyphosphate, TlPO3, contains a polyphosphate chain extending parallel to [010] with a repeating unit of two phosphate tetra-hedra. The TlI atom is located in-between the polyphosphate chains and is bonded by oxygen atoms in a distorted [6 + 1] coordination in the form of a monocapped prism, with the longest Tl-O bond to the bridging O atom of the polyphosphate chain. A qu-anti-tative structural comparison with isotypic RbPO3 and CsPO3 reveals that the usually pronounced stereoactivity of the 6s 2 lone pair at the TlI atom is not apparent in the case of TlPO3.
Keyphrases
  • molecular dynamics
  • electron transfer
  • diffusion weighted imaging