Ba3FeRu2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(3), 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 Fe(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Fe(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 are 7°. In the second Ba site, Ba(2) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) 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(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. 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 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, faces with two equivalent Ru(1)O6 octahedra, faces with three equivalent Ru(2)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ru(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Ru site, Ru(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(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, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Fe(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Ba(1)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, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Ru(2), and one Fe(1) atom to form a mixture of distorted face and corner-sharing OBa4FeRu octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(1), and one Ru(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ru(1), and one Fe(1) atom.
Ba3FeRu2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(3), 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 Fe(1)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Fe(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 are 7°. All Ba(1)-O(1) bond lengths are 2.84 Å. All Ba(1)-O(3) bond lengths are 2.99 Å. All Ba(1)-O(2) bond lengths are 2.91 Å. In the second Ba site, Ba(2) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) 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(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Ba(2)-O(1) bond lengths are 2.91 Å. All Ba(2)-O(2) bond lengths are 2.99 Å. All Ba(2)-O(3) bond lengths are 2.91 Å. 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 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, faces with two equivalent Ru(1)O6 octahedra, faces with three equivalent Ru(2)O6 octahedra, and faces with three equivalent Fe(1)O6 octahedra. All Ba(3)-O(2) bond lengths are 2.96 Å. All Ba(3)-O(3) bond lengths are 2.89 Å. All Ba(3)-O(1) bond lengths are 2.91 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Ru(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. All Ru(1)-O(2) bond lengths are 1.99 Å. All Ru(1)-O(3) bond lengths are 2.01 Å. In the second Ru site, Ru(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(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, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ru(2)-O(1) bond lengths are 1.99 Å. All Ru(2)-O(2) bond lengths are 2.01 Å. Fe(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Ba(1)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, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Fe(1)-O(1) bond lengths are 2.11 Å. All Fe(1)-O(3) bond lengths are 1.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Ru(2), and one Fe(1) atom to form a mixture of distorted face and corner-sharing OBa4FeRu octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(1), and one Ru(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ru(1), and one Fe(1) atom.