Ba3Sr(CoO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(11), one O(12), one O(9), two equivalent O(2), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(3)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. In the second Ba site, Ba(2) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(3)O12 cuboctahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(3)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. In the third Ba site, Ba(3) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(11), two equivalent O(12), two equivalent O(2), and two equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(3)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra,  a faceface with one Co(4)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. Sr(1) is bonded to one O(10), one O(11), one O(12), one O(9), two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra,  a faceface with one Co(4)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Sr(1)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(4), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra,  a cornercorner with one Sr(1)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Co(4)O6 octahedra. In the third Co site, Co(3) is bonded to one O(11), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Sr(1)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Co(1)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(4), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra,  a cornercorner with one Sr(1)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Co(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Sr(1), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Sr(1), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Co(2), and one Co(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Sr(1), one Co(1), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Sr(1), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Co(2), and one Co(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Co(2), and one Co(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), one Sr(1), one Co(2), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), one Sr(1), one Co(2), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(3), one Sr(1), one Co(1), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(3), one Sr(1), one Co(1), and one Co(3) atom.
Ba3Sr(CoO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(11), one O(12), one O(9), two equivalent O(2), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(3)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(3)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. The Ba(1)-O(10) bond length is 2.90 Å. The Ba(1)-O(11) bond length is 2.90 Å. The Ba(1)-O(12) bond length is 2.91 Å. The Ba(1)-O(9) bond length is 2.90 Å. There is one shorter (3.02 Å) and one longer (3.05 Å) Ba(1)-O(2) bond length. There is one shorter (2.84 Å) and one longer (2.85 Å) Ba(1)-O(4) bond length. Both Ba(1)-O(7) bond lengths are 3.04 Å. There is one shorter (3.03 Å) and one longer (3.05 Å) Ba(1)-O(8) bond length. In the second Ba site, Ba(2) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(3)O12 cuboctahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(3)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. The Ba(2)-O(5) bond length is 2.81 Å. The Ba(2)-O(6) bond length is 2.81 Å. The Ba(2)-O(7) bond length is 2.83 Å. The Ba(2)-O(8) bond length is 2.84 Å. Both Ba(2)-O(1) bond lengths are 2.84 Å. There is one shorter (3.01 Å) and one longer (3.03 Å) Ba(2)-O(10) bond length. There is one shorter (2.97 Å) and one longer (3.01 Å) Ba(2)-O(3) bond length. There is one shorter (3.02 Å) and one longer (3.03 Å) Ba(2)-O(9) bond length. In the third Ba site, Ba(3) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(11), two equivalent O(12), two equivalent O(2), and two equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(3)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra,  a faceface with one Co(4)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. The Ba(3)-O(5) bond length is 2.85 Å. The Ba(3)-O(6) bond length is 2.84 Å. The Ba(3)-O(7) bond length is 2.88 Å. The Ba(3)-O(8) bond length is 2.88 Å. There is one shorter (2.98 Å) and one longer (3.09 Å) Ba(3)-O(11) bond length. There is one shorter (2.98 Å) and one longer (3.07 Å) Ba(3)-O(12) bond length. Both Ba(3)-O(2) bond lengths are 2.84 Å. There is one shorter (3.04 Å) and one longer (3.05 Å) Ba(3)-O(4) bond length. Sr(1) is bonded to one O(10), one O(11), one O(12), one O(9), two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra,  a faceface with one Co(4)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. The Sr(1)-O(10) bond length is 2.77 Å. The Sr(1)-O(11) bond length is 2.80 Å. The Sr(1)-O(12) bond length is 2.78 Å. The Sr(1)-O(9) bond length is 2.77 Å. There is one shorter (2.96 Å) and one longer (2.99 Å) Sr(1)-O(1) bond length. There is one shorter (2.84 Å) and one longer (2.85 Å) Sr(1)-O(3) bond length. There is one shorter (2.94 Å) and one longer (3.11 Å) Sr(1)-O(5) bond length. There is one shorter (2.98 Å) and one longer (3.05 Å) Sr(1)-O(6) bond length. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Sr(1)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Co(3)O6 octahedra. The Co(1)-O(11) bond length is 1.85 Å. The Co(1)-O(12) bond length is 1.92 Å. The Co(1)-O(2) bond length is 1.92 Å. The Co(1)-O(3) bond length is 1.91 Å. The Co(1)-O(5) bond length is 1.85 Å. The Co(1)-O(6) bond length is 1.92 Å. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(4), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra,  a cornercorner with one Sr(1)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Co(4)O6 octahedra. The Co(2)-O(1) bond length is 1.91 Å. The Co(2)-O(10) bond length is 1.87 Å. The Co(2)-O(4) bond length is 1.91 Å. The Co(2)-O(7) bond length is 1.90 Å. The Co(2)-O(8) bond length is 1.87 Å. The Co(2)-O(9) bond length is 1.90 Å. In the third Co site, Co(3) is bonded to one O(11), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Sr(1)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Co(1)O6 octahedra. The Co(3)-O(11) bond length is 1.92 Å. The Co(3)-O(12) bond length is 1.88 Å. The Co(3)-O(2) bond length is 1.89 Å. The Co(3)-O(3) bond length is 1.88 Å. The Co(3)-O(5) bond length is 1.92 Å. The Co(3)-O(6) bond length is 1.87 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(4), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra,  a cornercorner with one Sr(1)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Co(2)O6 octahedra. The Co(4)-O(1) bond length is 1.91 Å. The Co(4)-O(10) bond length is 1.90 Å. The Co(4)-O(4) bond length is 1.91 Å. The Co(4)-O(7) bond length is 1.87 Å. The Co(4)-O(8) bond length is 1.90 Å. The Co(4)-O(9) bond length is 1.87 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Sr(1), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Sr(1), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Co(2), and one Co(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Sr(1), one Co(1), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Sr(1), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Co(2), and one Co(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Co(2), and one Co(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), one Sr(1), one Co(2), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), one Sr(1), one Co(2), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(3), one Sr(1), one Co(1), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(3), one Sr(1), one Co(1), and one Co(3) atom.