BaSr3(CoO3)4 crystallizes in the monoclinic Pm space group. Ba(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 BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. There are three inequivalent Sr sites. In the first Sr site, Sr(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 SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Co(2)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Sr site, Sr(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 SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Co(2)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the third Sr site, Sr(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 SrO12 cuboctahedra that share corners with two equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. There are two inequivalent Co sites. In the first Co site, Co(1) 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(1)O12 cuboctahedra,  a cornercorner with one Sr(3)O12 cuboctahedra, corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) 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 Sr(1)O12 cuboctahedra,  a cornercorner with one Sr(2)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(3)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(1), two equivalent Sr(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(2), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Sr(2), one Sr(3), and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Sr(2), one Sr(3), and two equivalent Co(2) atoms. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(3), and two equivalent Co(2) atoms. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(3), and two equivalent Co(2) atoms.
BaSr3(CoO3)4 crystallizes in the monoclinic Pm space group. Ba(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 BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. The Ba(1)-O(10) bond length is 2.84 Å. The Ba(1)-O(11) bond length is 2.83 Å. The Ba(1)-O(12) bond length is 2.83 Å. The Ba(1)-O(9) bond length is 2.85 Å. Both Ba(1)-O(1) bond lengths are 2.97 Å. There is one shorter (2.77 Å) and one longer (2.78 Å) Ba(1)-O(3) bond length. Both Ba(1)-O(5) bond lengths are 2.95 Å. Both Ba(1)-O(6) bond lengths are 2.96 Å. There are three inequivalent Sr sites. In the first Sr site, Sr(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 SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Co(2)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. The Sr(1)-O(10) bond length is 2.71 Å. The Sr(1)-O(11) bond length is 2.69 Å. The Sr(1)-O(12) bond length is 2.70 Å. The Sr(1)-O(9) bond length is 2.71 Å. Both Sr(1)-O(2) bond lengths are 2.92 Å. There is one shorter (2.76 Å) and one longer (2.78 Å) Sr(1)-O(4) bond length. Both Sr(1)-O(7) bond lengths are 2.93 Å. Both Sr(1)-O(8) bond lengths are 2.95 Å. In the second Sr site, Sr(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 SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Co(2)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. The Sr(2)-O(5) bond length is 2.82 Å. The Sr(2)-O(6) bond length is 2.83 Å. The Sr(2)-O(7) bond length is 2.76 Å. The Sr(2)-O(8) bond length is 2.77 Å. There is one shorter (2.76 Å) and one longer (2.78 Å) Sr(2)-O(1) bond length. Both Sr(2)-O(10) bond lengths are 2.95 Å. Both Sr(2)-O(3) bond lengths are 2.99 Å. Both Sr(2)-O(9) bond lengths are 2.94 Å. In the third Sr site, Sr(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 SrO12 cuboctahedra that share corners with two equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. The Sr(3)-O(5) bond length is 2.76 Å. The Sr(3)-O(6) bond length is 2.76 Å. The Sr(3)-O(7) bond length is 2.73 Å. The Sr(3)-O(8) bond length is 2.73 Å. Both Sr(3)-O(11) bond lengths are 2.93 Å. Both Sr(3)-O(12) bond lengths are 2.95 Å. There is one shorter (2.76 Å) and one longer (2.78 Å) Sr(3)-O(2) bond length. Both Sr(3)-O(4) bond lengths are 2.91 Å. There are two inequivalent Co sites. In the first Co site, Co(1) 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(1)O12 cuboctahedra,  a cornercorner with one Sr(3)O12 cuboctahedra, corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent Co(1)O6 octahedra. The Co(1)-O(1) bond length is 1.89 Å. The Co(1)-O(10) bond length is 1.88 Å. The Co(1)-O(4) bond length is 1.88 Å. The Co(1)-O(7) bond length is 1.90 Å. The Co(1)-O(8) bond length is 1.88 Å. The Co(1)-O(9) bond length is 1.90 Å. In the second Co site, Co(2) 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 Sr(1)O12 cuboctahedra,  a cornercorner with one Sr(2)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Co(2)O6 octahedra. The Co(2)-O(11) bond length is 1.90 Å. The Co(2)-O(12) bond length is 1.88 Å. The Co(2)-O(2) bond length is 1.88 Å. The Co(2)-O(3) bond length is 1.89 Å. The Co(2)-O(5) bond length is 1.90 Å. The Co(2)-O(6) bond length is 1.88 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(1), two equivalent Sr(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(2), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Sr(2), one Sr(3), and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Sr(2), one Sr(3), and two equivalent Co(2) atoms. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(3), and two equivalent Co(2) atoms. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(3), and two equivalent Co(2) atoms.