Ba6Ru3Cl2O12 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to three equivalent O(2), six equivalent O(1), and one Cl(1) atom. In the third Ba site, Ba(3) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. In the second Ru site, Ru(2) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share faces with six equivalent Ba(3)O12 cuboctahedra and faces with two equivalent Ru(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Ru(1) atom. In the second O site, O(2) is bonded to one Ba(2), three equivalent Ba(3), one Ru(1), and one Ru(2) atom to form distorted OBa4Ru2 octahedra that share corners with eleven equivalent O(2)Ba4Ru2 octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(2)Ba4Ru2 octahedra, and faces with six equivalent O(2)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. Cl(1) is bonded to one Ba(2) and four equivalent Ba(1) atoms to form distorted ClBa5 trigonal bipyramids that share corners with three equivalent O(2)Ba4Ru2 octahedra, corners with six equivalent Cl(1)Ba5 trigonal bipyramids, and edges with three equivalent Cl(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°.
Ba6Ru3Cl2O12 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent Cl(1) atoms. All Ba(1)-O(1) bond lengths are 2.57 Å. There is one shorter (3.22 Å) and three longer (3.53 Å) Ba(1)-Cl(1) bond lengths. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to three equivalent O(2), six equivalent O(1), and one Cl(1) atom. All Ba(2)-O(2) bond lengths are 2.69 Å. All Ba(2)-O(1) bond lengths are 2.99 Å. The Ba(2)-Cl(1) bond length is 3.15 Å. In the third Ba site, Ba(3) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Ba(3)-O(1) bond lengths are 3.00 Å. There are six shorter (2.96 Å) and three longer (3.07 Å) Ba(3)-O(2) bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. All Ru(1)-O(1) bond lengths are 1.91 Å. All Ru(1)-O(2) bond lengths are 2.10 Å. In the second Ru site, Ru(2) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share faces with six equivalent Ba(3)O12 cuboctahedra and faces with two equivalent Ru(1)O6 octahedra. All Ru(2)-O(2) bond lengths are 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Ru(1) atom. In the second O site, O(2) is bonded to one Ba(2), three equivalent Ba(3), one Ru(1), and one Ru(2) atom to form distorted OBa4Ru2 octahedra that share corners with eleven equivalent O(2)Ba4Ru2 octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(2)Ba4Ru2 octahedra, and faces with six equivalent O(2)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. Cl(1) is bonded to one Ba(2) and four equivalent Ba(1) atoms to form distorted ClBa5 trigonal bipyramids that share corners with three equivalent O(2)Ba4Ru2 octahedra, corners with six equivalent Cl(1)Ba5 trigonal bipyramids, and edges with three equivalent Cl(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°.