Mo2P4O15

We’ve an ongoing interest in the group in the structural properties of framework materials. As part of this programme we’ve become interested in Mo2P4O15. This mateial was originally in the early 1990’s and thought to have a relatively simple structure with just 11 atoms in the asymmetric unit. We’ve reinvestigated the structure and in fact it is far more complex than originally thought and has a remarkable 441 crystallographically independent atoms. This makes it the most complex oxide structure determined to date.

The relationship between the incorrect subcell model of Mo2P4O15 (left) and the true supercell (right).

The relationship between adp’s obtained using an incorrect subcell model (left) and the the true static displacements observed for the superstructure (right).

Further details of this work can be found in the publication below:

“Mo2P4O15 – The Most Complex Oxide Structure Solved by Single Crystal Methods?”, S.E. Lister, I.R. Evans, J.A.K. Howard, A.K. Coelho, J.S.O. Evans, Chemical Communications, 2004, 2540-2541.