Pr3RuBr3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Ru(1), one Br(3), and three equivalent Br(1) atoms to form PrRu2Br4 octahedra that share corners with four equivalent Pr(2)Ru3Br3 octahedra, edges with two equivalent Pr(3)RuBr5 octahedra, edges with four equivalent Pr(1)Ru2Br4 octahedra, and edges with four equivalent Pr(2)Ru3Br3 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second Pr site, Pr(2) is bonded to three equivalent Ru(1), one Br(2), and two equivalent Br(1) atoms to form PrRu3Br3 octahedra that share corners with two equivalent Pr(3)RuBr5 octahedra, corners with four equivalent Pr(1)Ru2Br4 octahedra, edges with two equivalent Pr(3)RuBr5 octahedra, edges with four equivalent Pr(1)Ru2Br4 octahedra, and edges with four equivalent Pr(2)Ru3Br3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Pr site, Pr(3) is bonded to one Ru(1), two equivalent Br(3), and three equivalent Br(2) atoms to form distorted PrRuBr5 octahedra that share corners with two equivalent Pr(2)Ru3Br3 octahedra, edges with two equivalent Pr(1)Ru2Br4 octahedra, edges with two equivalent Pr(2)Ru3Br3 octahedra, and edges with four equivalent Pr(3)RuBr5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. Ru(1) is bonded to one Pr(3), two equivalent Pr(1), and three equivalent Pr(2) atoms to form RuPr6 octahedra that share corners with four equivalent Br(1)Pr5 square pyramids, edges with four equivalent Ru(1)Pr6 octahedra, and edges with four equivalent Br(1)Pr5 square pyramids. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Pr(2) and three equivalent Pr(1) atoms to form distorted BrPr5 square pyramids that share corners with four equivalent Ru(1)Pr6 octahedra, edges with four equivalent Ru(1)Pr6 octahedra, and edges with four equivalent Br(1)Pr5 square pyramids. The corner-sharing octahedral tilt angles range from 9-10°. In the second Br site, Br(2) is bonded in a distorted see-saw-like geometry to one Pr(2) and three equivalent Pr(3) atoms. In the third Br site, Br(3) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Pr(3) atoms.
Pr3RuBr3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Ru(1), one Br(3), and three equivalent Br(1) atoms to form PrRu2Br4 octahedra that share corners with four equivalent Pr(2)Ru3Br3 octahedra, edges with two equivalent Pr(3)RuBr5 octahedra, edges with four equivalent Pr(1)Ru2Br4 octahedra, and edges with four equivalent Pr(2)Ru3Br3 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. Both Pr(1)-Ru(1) bond lengths are 2.83 Å. The Pr(1)-Br(3) bond length is 3.09 Å. There is one shorter (3.16 Å) and two longer (3.31 Å) Pr(1)-Br(1) bond lengths. In the second Pr site, Pr(2) is bonded to three equivalent Ru(1), one Br(2), and two equivalent Br(1) atoms to form PrRu3Br3 octahedra that share corners with two equivalent Pr(3)RuBr5 octahedra, corners with four equivalent Pr(1)Ru2Br4 octahedra, edges with two equivalent Pr(3)RuBr5 octahedra, edges with four equivalent Pr(1)Ru2Br4 octahedra, and edges with four equivalent Pr(2)Ru3Br3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are two shorter (2.87 Å) and one longer (2.88 Å) Pr(2)-Ru(1) bond length. The Pr(2)-Br(2) bond length is 3.30 Å. Both Pr(2)-Br(1) bond lengths are 3.37 Å. In the third Pr site, Pr(3) is bonded to one Ru(1), two equivalent Br(3), and three equivalent Br(2) atoms to form distorted PrRuBr5 octahedra that share corners with two equivalent Pr(2)Ru3Br3 octahedra, edges with two equivalent Pr(1)Ru2Br4 octahedra, edges with two equivalent Pr(2)Ru3Br3 octahedra, and edges with four equivalent Pr(3)RuBr5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. The Pr(3)-Ru(1) bond length is 2.65 Å. Both Pr(3)-Br(3) bond lengths are 3.02 Å. There are two shorter (3.09 Å) and one longer (3.33 Å) Pr(3)-Br(2) bond length. Ru(1) is bonded to one Pr(3), two equivalent Pr(1), and three equivalent Pr(2) atoms to form RuPr6 octahedra that share corners with four equivalent Br(1)Pr5 square pyramids, edges with four equivalent Ru(1)Pr6 octahedra, and edges with four equivalent Br(1)Pr5 square pyramids. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Pr(2) and three equivalent Pr(1) atoms to form distorted BrPr5 square pyramids that share corners with four equivalent Ru(1)Pr6 octahedra, edges with four equivalent Ru(1)Pr6 octahedra, and edges with four equivalent Br(1)Pr5 square pyramids. The corner-sharing octahedral tilt angles range from 9-10°. In the second Br site, Br(2) is bonded in a distorted see-saw-like geometry to one Pr(2) and three equivalent Pr(3) atoms. In the third Br site, Br(3) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Pr(3) atoms.