Materials Data on Pr3PtI3 by Materials Project

Pr3PtI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Pt and four equivalent I atoms to form a mixture of distorted corner and edge-sharing PrPt2I4 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. Both Pr–Pt bond lengths are 2.92 Å. There are two shorter (3.30 Å) and two longer (3.44 Å) Pr–I bond lengths. Pt is bonded to six equivalent Pr atoms to form edge-sharing PtPr6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.