Ba12MnRu5(O6Cl)4 crystallizes in the trigonal P-3m1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(4), six equivalent O(1), and one Cl(1) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to three equivalent O(3), six equivalent O(2), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to three equivalent O(2), one Cl(1), and three equivalent Cl(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to three equivalent O(1), one Cl(2), and three equivalent Cl(1) atoms. In the fifth Ba site, Ba(5) is bonded to three equivalent O(2) and nine equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the sixth Ba site, Ba(6) is bonded to three equivalent O(1) and nine equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Mn(1) is bonded to six equivalent O(3) atoms to form MnO6 octahedra that share faces with six equivalent Ba(5)O12 cuboctahedra and faces with two equivalent Ru(2)O6 octahedra. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form RuO6 octahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ru(3)O6 octahedra. In the second Ru site, Ru(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Mn(1)O6 octahedra. In the third Ru site, Ru(3) is bonded to six equivalent O(4) atoms to form RuO6 octahedra that share faces with six equivalent Ba(6)O12 cuboctahedra and faces with two equivalent Ru(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(5), one Mn(1), and one Ru(2) atom. In the second O site, O(4) is bonded to one Ba(1), three equivalent Ba(6), one Ru(1), and one Ru(3) atom to form distorted OBa4Ru2 octahedra that share corners with eleven equivalent O(4)Ba4Ru2 octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(4)Ba4Ru2 octahedra, and faces with six equivalent O(4)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Ba(4), one Ba(6), two equivalent Ba(1), and one Ru(1) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(5), two equivalent Ba(2), and one Ru(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1), one Ba(3), and three equivalent Ba(4) atoms to form distorted ClBa5 trigonal bipyramids that share corners with three equivalent O(4)Ba4Ru2 octahedra, corners with six equivalent Cl(1)Ba5 trigonal bipyramids, and edges with three equivalent Cl(2)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. In the second Cl site, Cl(2) is bonded to one Ba(2), one Ba(4), and three equivalent Ba(3) atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids.
Ba12MnRu5(O6Cl)4 crystallizes in the trigonal P-3m1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(4), six equivalent O(1), and one Cl(1) atom. All Ba(1)-O(4) bond lengths are 2.69 Å. All Ba(1)-O(1) bond lengths are 2.99 Å. The Ba(1)-Cl(1) bond length is 3.13 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to three equivalent O(3), six equivalent O(2), and one Cl(2) atom. All Ba(2)-O(3) bond lengths are 2.71 Å. All Ba(2)-O(2) bond lengths are 3.00 Å. The Ba(2)-Cl(2) bond length is 3.18 Å. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to three equivalent O(2), one Cl(1), and three equivalent Cl(2) atoms. All Ba(3)-O(2) bond lengths are 2.56 Å. The Ba(3)-Cl(1) bond length is 3.22 Å. All Ba(3)-Cl(2) bond lengths are 3.52 Å. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to three equivalent O(1), one Cl(2), and three equivalent Cl(1) atoms. All Ba(4)-O(1) bond lengths are 2.57 Å. The Ba(4)-Cl(2) bond length is 3.24 Å. All Ba(4)-Cl(1) bond lengths are 3.53 Å. In the fifth Ba site, Ba(5) is bonded to three equivalent O(2) and nine equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Ba(5)-O(2) bond lengths are 3.04 Å. There are six shorter (2.97 Å) and three longer (3.04 Å) Ba(5)-O(3) bond lengths. In the sixth Ba site, Ba(6) is bonded to three equivalent O(1) and nine equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Ba(6)-O(1) bond lengths are 3.02 Å. There are six shorter (2.96 Å) and three longer (3.05 Å) Ba(6)-O(4) bond lengths. Mn(1) is bonded to six equivalent O(3) atoms to form MnO6 octahedra that share faces with six equivalent Ba(5)O12 cuboctahedra and faces with two equivalent Ru(2)O6 octahedra. All Mn(1)-O(3) bond lengths are 1.95 Å. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form RuO6 octahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ru(3)O6 octahedra. All Ru(1)-O(1) bond lengths are 1.90 Å. All Ru(1)-O(4) bond lengths are 2.11 Å. In the second Ru site, Ru(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Mn(1)O6 octahedra. All Ru(2)-O(2) bond lengths are 1.89 Å. All Ru(2)-O(3) bond lengths are 2.12 Å. In the third Ru site, Ru(3) is bonded to six equivalent O(4) atoms to form RuO6 octahedra that share faces with six equivalent Ba(6)O12 cuboctahedra and faces with two equivalent Ru(1)O6 octahedra. All Ru(3)-O(4) bond lengths are 2.02 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(5), one Mn(1), and one Ru(2) atom. In the second O site, O(4) is bonded to one Ba(1), three equivalent Ba(6), one Ru(1), and one Ru(3) atom to form distorted OBa4Ru2 octahedra that share corners with eleven equivalent O(4)Ba4Ru2 octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(4)Ba4Ru2 octahedra, and faces with six equivalent O(4)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Ba(4), one Ba(6), two equivalent Ba(1), and one Ru(1) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(5), two equivalent Ba(2), and one Ru(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(1), one Ba(3), and three equivalent Ba(4) atoms to form distorted ClBa5 trigonal bipyramids that share corners with three equivalent O(4)Ba4Ru2 octahedra, corners with six equivalent Cl(1)Ba5 trigonal bipyramids, and edges with three equivalent Cl(2)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. In the second Cl site, Cl(2) is bonded to one Ba(2), one Ba(4), and three equivalent Ba(3) atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids.