Ba4Pr(RuO4)3 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(12), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1), one O(8), two equivalent O(11), two equivalent O(3), and four equivalent O(10) atoms. In the fourth Ba site, Ba(4) is bonded in a 11-coordinate geometry to one O(12), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(7) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to two equivalent O(10), three equivalent O(1), and six equivalent O(11) atoms. In the sixth Ba site, Ba(6) is bonded in a 10-coordinate geometry to one O(12), two equivalent O(2), three equivalent O(9), and four equivalent O(6) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(3), one O(8), two equivalent O(10), and two equivalent O(5) atoms to form PrO6 octahedra that share corners with three equivalent Ru(3)O6 octahedra and corners with three equivalent Ru(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the second Pr site, Pr(2) is bonded to two equivalent O(9) and four equivalent O(6) atoms to form PrO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are five inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(12), one O(9), two equivalent O(2), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Pr(2)O6 octahedra and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Ru site, Ru(2) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(7) atoms to form face-sharing RuO6 octahedra. In the third Ru site, Ru(3) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(11) atoms to form RuO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra and  a faceface with one Ru(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth Ru site, Ru(4) is bonded to two equivalent O(1) and four equivalent O(11) atoms to form face-sharing RuO6 octahedra. In the fifth Ru site, Ru(5) is bonded to one O(4), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form RuO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ba(3), three equivalent Ba(5), one Ru(3), and one Ru(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Ba(4), one Ba(6), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(3), one Pr(1), and one Ru(3) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), two equivalent Ba(4), one Ru(2), and one Ru(5) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(4), two equivalent Ba(1), one Pr(1), and one Ru(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(6), one Pr(2), and one Ru(1) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(2), two equivalent Ba(4), one Ru(2), and one Ru(5) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Ba(3), two equivalent Ba(1), one Pr(1), and one Ru(5) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to three equivalent Ba(6), one Pr(2), and one Ru(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(5), two equivalent Ba(3), one Pr(1), and one Ru(3) atom. In the eleventh O site, O(11) is bonded to one Ba(3), three equivalent Ba(5), one Ru(3), and one Ru(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the twelfth O site, O(12) is bonded to one Ba(4), one Ba(6), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.
Ba4Pr(RuO4)3 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(5) atoms. The Ba(1)-O(3) bond length is 3.18 Å. The Ba(1)-O(4) bond length is 2.98 Å. Both Ba(1)-O(7) bond lengths are 2.78 Å. Both Ba(1)-O(8) bond lengths are 3.03 Å. There are two shorter (2.89 Å) and two longer (3.11 Å) Ba(1)-O(5) bond lengths. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(12), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. The Ba(2)-O(4) bond length is 2.83 Å. Both Ba(2)-O(12) bond lengths are 3.00 Å. Both Ba(2)-O(6) bond lengths are 2.99 Å. Both Ba(2)-O(7) bond lengths are 3.06 Å. There are two shorter (2.97 Å) and two longer (3.04 Å) Ba(2)-O(2) bond lengths. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1), one O(8), two equivalent O(11), two equivalent O(3), and four equivalent O(10) atoms. The Ba(3)-O(1) bond length is 3.00 Å. The Ba(3)-O(8) bond length is 3.20 Å. Both Ba(3)-O(11) bond lengths are 2.78 Å. Both Ba(3)-O(3) bond lengths are 3.04 Å. There are two shorter (2.88 Å) and two longer (3.12 Å) Ba(3)-O(10) bond lengths. In the fourth Ba site, Ba(4) is bonded in a 11-coordinate geometry to one O(12), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(7) atoms. The Ba(4)-O(12) bond length is 2.83 Å. Both Ba(4)-O(2) bond lengths are 3.06 Å. Both Ba(4)-O(4) bond lengths are 3.00 Å. Both Ba(4)-O(5) bond lengths are 2.99 Å. There are two shorter (2.98 Å) and two longer (3.04 Å) Ba(4)-O(7) bond lengths. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to two equivalent O(10), three equivalent O(1), and six equivalent O(11) atoms. Both Ba(5)-O(10) bond lengths are 2.98 Å. There is one shorter (2.81 Å) and two longer (3.00 Å) Ba(5)-O(1) bond lengths. There are a spread of Ba(5)-O(11) bond distances ranging from 2.97-3.07 Å. In the sixth Ba site, Ba(6) is bonded in a 10-coordinate geometry to one O(12), two equivalent O(2), three equivalent O(9), and four equivalent O(6) atoms. The Ba(6)-O(12) bond length is 2.98 Å. Both Ba(6)-O(2) bond lengths are 2.78 Å. There are two shorter (3.03 Å) and one longer (3.23 Å) Ba(6)-O(9) bond length. There are two shorter (2.89 Å) and two longer (3.10 Å) Ba(6)-O(6) bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(3), one O(8), two equivalent O(10), and two equivalent O(5) atoms to form PrO6 octahedra that share corners with three equivalent Ru(3)O6 octahedra and corners with three equivalent Ru(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. The Pr(1)-O(3) bond length is 2.34 Å. The Pr(1)-O(8) bond length is 2.33 Å. Both Pr(1)-O(10) bond lengths are 2.33 Å. Both Pr(1)-O(5) bond lengths are 2.32 Å. In the second Pr site, Pr(2) is bonded to two equivalent O(9) and four equivalent O(6) atoms to form PrO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Both Pr(2)-O(9) bond lengths are 2.33 Å. All Pr(2)-O(6) bond lengths are 2.33 Å. There are five inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(12), one O(9), two equivalent O(2), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Pr(2)O6 octahedra and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. The Ru(1)-O(12) bond length is 2.08 Å. The Ru(1)-O(9) bond length is 1.93 Å. Both Ru(1)-O(2) bond lengths are 2.08 Å. Both Ru(1)-O(6) bond lengths are 1.94 Å. In the second Ru site, Ru(2) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(7) atoms to form face-sharing RuO6 octahedra. The Ru(2)-O(12) bond length is 2.03 Å. The Ru(2)-O(4) bond length is 2.02 Å. Both Ru(2)-O(2) bond lengths are 2.04 Å. Both Ru(2)-O(7) bond lengths are 2.04 Å. In the third Ru site, Ru(3) is bonded to one O(1), one O(3), two equivalent O(10), and two equivalent O(11) atoms to form RuO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra and  a faceface with one Ru(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. The Ru(3)-O(1) bond length is 2.07 Å. The Ru(3)-O(3) bond length is 1.93 Å. Both Ru(3)-O(10) bond lengths are 1.94 Å. Both Ru(3)-O(11) bond lengths are 2.08 Å. In the fourth Ru site, Ru(4) is bonded to two equivalent O(1) and four equivalent O(11) atoms to form face-sharing RuO6 octahedra. Both Ru(4)-O(1) bond lengths are 2.02 Å. All Ru(4)-O(11) bond lengths are 2.04 Å. In the fifth Ru site, Ru(5) is bonded to one O(4), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form RuO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. The Ru(5)-O(4) bond length is 2.07 Å. The Ru(5)-O(8) bond length is 1.94 Å. Both Ru(5)-O(5) bond lengths are 1.94 Å. Both Ru(5)-O(7) bond lengths are 2.08 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ba(3), three equivalent Ba(5), one Ru(3), and one Ru(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Ba(4), one Ba(6), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(3), one Pr(1), and one Ru(3) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), two equivalent Ba(4), one Ru(2), and one Ru(5) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(4), two equivalent Ba(1), one Pr(1), and one Ru(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(6), one Pr(2), and one Ru(1) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(2), two equivalent Ba(4), one Ru(2), and one Ru(5) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Ba(3), two equivalent Ba(1), one Pr(1), and one Ru(5) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to three equivalent Ba(6), one Pr(2), and one Ru(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(5), two equivalent Ba(3), one Pr(1), and one Ru(3) atom. In the eleventh O site, O(11) is bonded to one Ba(3), three equivalent Ba(5), one Ru(3), and one Ru(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the twelfth O site, O(12) is bonded to one Ba(4), one Ba(6), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.