Materials Data on PrBr5N2 by Materials Project
PrN2Br5 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two PrN2Br5 ribbons oriented in the (1, 0, 0) direction. Pr3+ is bonded to six Br1- atoms to form distorted edge-sharing PrBr6 pentagonal pyramids. There are a spread of Pr–Br bond distances ranging from 2.75–3.02 Å. N1+ is bonded in a distorted water-like geometry to two Br1- atoms. There are one shorter (1.88 Å) and one longer (2.71 Å) N–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two equivalent N1+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pr3+ atom. In the third Br1- site, Br1- is bonded in a water-like geometry to two equivalent Pr3+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to one Pr3+ and two equivalent N1+ atoms.