Ba2MnRuO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(5), two equivalent O(6), three equivalent O(1), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Ba site, Ba(2) is bonded to one O(5), two equivalent O(6), three equivalent O(3), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ru(2)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third Ba site, Ba(3) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Ru(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Mn(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Ru site, Ru(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Mn(1), and one Ru(1) atom. In the second O site, O(6) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Mn(1), and one Ru(1) atom to form a mixture of distorted corner and face-sharing OBa4MnRu octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Ba(3), three equivalent Ba(1), one Mn(2), and one Ru(1) atom. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(1), one Mn(2), and one Ru(1) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Ru(2) atom. In the sixth O site, O(4) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Ru(2) atom.
Ba2MnRuO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(5), two equivalent O(6), three equivalent O(1), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. The Ba(1)-O(5) bond length is 2.97 Å. Both Ba(1)-O(6) bond lengths are 2.87 Å. There is one shorter (2.89 Å) and two longer (2.93 Å) Ba(1)-O(1) bond lengths. There are a spread of Ba(1)-O(2) bond distances ranging from 2.86-3.13 Å. In the second Ba site, Ba(2) is bonded to one O(5), two equivalent O(6), three equivalent O(3), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ru(2)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. The Ba(2)-O(5) bond length is 2.95 Å. Both Ba(2)-O(6) bond lengths are 2.95 Å. There are two shorter (2.93 Å) and one longer (3.05 Å) Ba(2)-O(3) bond length. There are a spread of Ba(2)-O(4) bond distances ranging from 2.92-3.00 Å. In the third Ba site, Ba(3) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Ru(1)O6 octahedra. The Ba(3)-O(1) bond length is 3.04 Å. The Ba(3)-O(3) bond length is 2.98 Å. Both Ba(3)-O(2) bond lengths are 2.91 Å. Both Ba(3)-O(4) bond lengths are 2.91 Å. Both Ba(3)-O(5) bond lengths are 2.93 Å. There are two shorter (2.92 Å) and two longer (2.94 Å) Ba(3)-O(6) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. The Mn(1)-O(3) bond length is 1.96 Å. The Mn(1)-O(5) bond length is 1.95 Å. Both Mn(1)-O(4) bond lengths are 2.07 Å. Both Mn(1)-O(6) bond lengths are 2.15 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. Both Mn(2)-O(1) bond lengths are 2.20 Å. All Mn(2)-O(2) bond lengths are 2.08 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Mn(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. The Ru(1)-O(1) bond length is 1.91 Å. The Ru(1)-O(5) bond length is 2.08 Å. Both Ru(1)-O(2) bond lengths are 1.97 Å. Both Ru(1)-O(6) bond lengths are 1.99 Å. In the second Ru site, Ru(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. Both Ru(2)-O(3) bond lengths are 2.03 Å. All Ru(2)-O(4) bond lengths are 1.99 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Mn(1), and one Ru(1) atom. In the second O site, O(6) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Mn(1), and one Ru(1) atom to form a mixture of distorted corner and face-sharing OBa4MnRu octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Ba(3), three equivalent Ba(1), one Mn(2), and one Ru(1) atom. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(1), one Mn(2), and one Ru(1) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Ru(2) atom. In the sixth O site, O(4) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Ru(2) atom.