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Materials Data on Ce3PI3 by Materials Project

Ce3PI3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Ce is bonded to two equivalent P and four equivalent I atoms to form a mixture of edge and corner-sharing CeP2I4 octahedra. The corner-sharing octahedra tilt angles range from 6–11°. Both Ce–P bond lengths are 2.85 Å. There are two shorter (3.20 Å) and two longer (3.28 Å) Ce–I bond lengths. P is bonded to six equivalent Ce atoms to form edge-sharing PCe6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent Ce atoms.

36 MATERIALS SCIENCE↗