Ba4NdRu3O12 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(1), two equivalent O(2), three equivalent O(3), and six equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Ba site, Ba(2) is bonded to one O(3), two equivalent O(4), three equivalent O(1), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Nd(1)O6 octahedra, and faces with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. Nd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NdO6 octahedra that share corners with six equivalent Ru(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form RuO6 octahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ru(2)O6 octahedra. In the second Ru site, Ru(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Nd(1)O6 octahedra, faces with three equivalent Ba(1)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 range from 5-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one Nd(1), and one Ru(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent Ba(2), one Nd(1), and one Ru(2) atom. In the third O site, O(3) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.
Ba4NdRu3O12 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(1), two equivalent O(2), three equivalent O(3), and six equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. The Ba(1)-O(1) bond length is 3.34 Å. Both Ba(1)-O(2) bond lengths are 3.06 Å. There is one shorter (2.87 Å) and two longer (3.00 Å) Ba(1)-O(3) bond lengths. There are a spread of Ba(1)-O(4) bond distances ranging from 2.98-3.03 Å. In the second Ba site, Ba(2) is bonded to one O(3), two equivalent O(4), three equivalent O(1), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Nd(1)O6 octahedra, and faces with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. The Ba(2)-O(3) bond length is 2.98 Å. Both Ba(2)-O(4) bond lengths are 2.85 Å. There are two shorter (3.02 Å) and one longer (3.18 Å) Ba(2)-O(1) bond length. There are a spread of Ba(2)-O(2) bond distances ranging from 2.93-3.38 Å. Nd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NdO6 octahedra that share corners with six equivalent Ru(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-7°. Both Nd(1)-O(1) bond lengths are 2.30 Å. All Nd(1)-O(2) bond lengths are 2.30 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form RuO6 octahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ru(2)O6 octahedra. Both Ru(1)-O(3) bond lengths are 2.03 Å. All Ru(1)-O(4) bond lengths are 2.04 Å. In the second Ru site, Ru(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Nd(1)O6 octahedra, faces with three equivalent Ba(1)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 range from 5-7°. The Ru(2)-O(1) bond length is 1.94 Å. The Ru(2)-O(3) bond length is 2.07 Å. Both Ru(2)-O(2) bond lengths are 1.94 Å. Both Ru(2)-O(4) bond lengths are 2.07 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one Nd(1), and one Ru(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent Ba(2), one Nd(1), and one Ru(2) atom. In the third O site, O(3) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.