Materials Data on Pr2I5 by Materials Project
Pr2I5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Pr2I5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to seven I atoms to form a mixture of distorted edge and face-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.23–3.37 Å. In the second Pr site, Pr is bonded to seven I atoms to form distorted edge-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.18–3.45 Å. There are five inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two equivalent Pr atoms. In the second I site, I is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms. In the third I site, I is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms. In the fourth I site, I is bonded in a distorted T-shaped geometry to three Pr atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to three Pr atoms.