Ba7Ru4O15Br2 crystallizes in the trigonal R-3m space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one Br(1) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent Br(1) atoms. In the third Ba site, Ba(3) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with nine equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with four equivalent Ru(2)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ru(1)O6 octahedra, faces with six equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. 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(4)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 three equivalent O(1) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(4), two equivalent Ba(3), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ru(2) atoms. Br(1) is bonded in a distorted pentagonal planar geometry to one Ba(1) and four equivalent Ba(2) atoms.
Ba7Ru4O15Br2 crystallizes in the trigonal R-3m space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one Br(1) atom. All Ba(1)-O(1) bond lengths are 2.71 Å. All Ba(1)-O(2) bond lengths are 2.98 Å. The Ba(1)-Br(1) bond length is 3.33 Å. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent Br(1) atoms. All Ba(2)-O(2) bond lengths are 2.57 Å. There is one shorter (3.46 Å) and three longer (3.55 Å) Ba(2)-Br(1) bond lengths. In the third Ba site, Ba(3) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with nine equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with four equivalent Ru(2)O6 octahedra. All Ba(3)-O(2) bond lengths are 2.92 Å. All Ba(3)-O(3) bond lengths are 2.99 Å. All Ba(3)-O(1) bond lengths are 2.95 Å. In the fourth Ba site, Ba(4) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ru(1)O6 octahedra, faces with six equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Ba(4)-O(1) bond lengths are 3.02 Å. All Ba(4)-O(3) bond lengths are 2.95 Å. 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(4)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 2.12 Å. All Ru(1)-O(2) bond lengths are 1.90 Å. In the second Ru site, Ru(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedra are not tilted. All Ru(2)-O(1) bond lengths are 2.03 Å. All Ru(2)-O(3) bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(4), two equivalent Ba(3), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ru(2) atoms. Br(1) is bonded in a distorted pentagonal planar geometry to one Ba(1) and four equivalent Ba(2) atoms.