Materials Data on P4Se3I2 by Materials Project

Kristin Persson
P4Se3I2 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of eight 3,6-diiodo-2,5,7-triselena-1,3,4,6-tetraphosphabicyclo[2.2.1]heptane molecules. there are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a water-like geometry to two Se2- atoms. There are one shorter (2.26 Å) and one longer (2.29 Å) P–Se bond lengths. In the second P2+ site, P2+ is bonded in a water-like geometry to one Se2- and one I1- atom. The P–Se...
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