BaRuO3 is (Cubic) Perovskite-like structured and 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(4), two equivalent O(3), three equivalent O(1), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with nine equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ru(2)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. In the second Ba site, Ba(2) is bonded to two equivalent O(1), two equivalent O(4), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ru(2)O6 octahedra, faces with eight equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ba(1)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, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Ru site, Ru(2) is bonded to two equivalent O(1) and four equivalent O(2) 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(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the second O site, O(2) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(1) atoms.
BaRuO3 is (Cubic) Perovskite-like structured and 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(4), two equivalent O(3), three equivalent O(1), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with nine equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ru(2)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. The Ba(1)-O(4) bond length is 2.99 Å. Both Ba(1)-O(3) bond lengths are 3.01 Å. There are two shorter (2.92 Å) and one longer (2.96 Å) Ba(1)-O(1) bond length. There are a spread of Ba(1)-O(2) bond distances ranging from 2.88-2.97 Å. In the second Ba site, Ba(2) is bonded to two equivalent O(1), two equivalent O(4), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ru(2)O6 octahedra, faces with eight equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Both Ba(2)-O(1) bond lengths are 2.95 Å. Both Ba(2)-O(4) bond lengths are 2.91 Å. All Ba(2)-O(2) bond lengths are 2.93 Å. All Ba(2)-O(3) bond lengths are 2.89 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ba(1)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, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedra are not tilted. The Ru(1)-O(1) bond length is 2.02 Å. The Ru(1)-O(4) bond length is 1.97 Å. Both Ru(1)-O(2) bond lengths are 2.01 Å. Both Ru(1)-O(3) bond lengths are 2.00 Å. In the second Ru site, Ru(2) is bonded to two equivalent O(1) and four equivalent O(2) 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(1)O6 octahedra. Both Ru(2)-O(1) bond lengths are 1.98 Å. All Ru(2)-O(2) bond lengths are 2.03 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the second O site, O(2) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(1) atoms.