Materials Data on Pr3RuCl3 by Materials Project
Pr3RuCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to one Ru and six Cl atoms. The Pr–Ru bond length is 3.19 Å. There are a spread of Pr–Cl bond distances ranging from 2.91–3.36 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to three equivalent Ru and four Cl atoms. There are two shorter (2.79 Å) and one longer (3.24 Å) Pr–Ru bond lengths. There are two shorter (3.20 Å) and two longer (3.40 Å) Pr–Cl bond lengths. In the third Pr site, Pr is bonded in a 6-coordinate geometry to two equivalent Ru and four Cl atoms. Both Pr–Ru bond lengths are 2.81 Å. There are a spread of Pr–Cl bond distances ranging from 2.95–3.14 Å. Ru is bonded in a 6-coordinate geometry to six Pr atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to four Pr atoms. In the second Cl site, Cl is bonded to five Pr atoms to form a mixture of distorted corner and edge-sharing ClPr5 trigonal bipyramids. In the third Cl site, Cl is bonded to five Pr atoms to form a mixture of distorted corner and edge-sharing ClPr5 trigonal bipyramids.