Sr2TaCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(7), one O(8), two equivalent O(1), two equivalent O(3), two equivalent O(5), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(4)O12 cuboctahedra,  a faceface with one Ta(3)O6 octahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Co(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(8), two equivalent O(1), three equivalent O(6), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(4)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(4)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra, faces with three equivalent Ta(2)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(5), two equivalent O(4), three equivalent O(7), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(4)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra, faces with three equivalent Ta(3)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(5), one O(6), two equivalent O(2), two equivalent O(4), two equivalent O(8), and four equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra, corners with six equivalent Sr(4)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Ta(2)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(5), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ta site, Ta(2) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Ta site, Ta(3) is bonded to two equivalent O(7) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Sr(4)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Co site, Co(2) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(3)O6 octahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Ta(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(4), three equivalent Sr(2), one Ta(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(3), one Ta(3), and one Co(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), two equivalent Sr(1), one Ta(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), one Ta(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OSr4TaCo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Sr(4), three equivalent Sr(2), one Ta(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr4TaCo octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Sr(1), three equivalent Sr(3), one Ta(3), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OSr4TaCo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Ta(1), and one Co(1) atom.
Sr2TaCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(7), one O(8), two equivalent O(1), two equivalent O(3), two equivalent O(5), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(4)O12 cuboctahedra,  a faceface with one Ta(3)O6 octahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Co(2)O6 octahedra. The Sr(1)-O(7) bond length is 2.81 Å. The Sr(1)-O(8) bond length is 2.78 Å. Both Sr(1)-O(1) bond lengths are 2.80 Å. Both Sr(1)-O(3) bond lengths are 2.82 Å. Both Sr(1)-O(5) bond lengths are 2.80 Å. There are two shorter (2.79 Å) and two longer (2.82 Å) Sr(1)-O(4) bond lengths. In the second Sr site, Sr(2) is bonded to one O(8), two equivalent O(1), three equivalent O(6), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(4)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(4)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra, faces with three equivalent Ta(2)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. The Sr(2)-O(8) bond length is 2.79 Å. Both Sr(2)-O(1) bond lengths are 2.80 Å. There is one shorter (2.75 Å) and two longer (2.80 Å) Sr(2)-O(6) bond lengths. There are a spread of Sr(2)-O(2) bond distances ranging from 2.76-2.81 Å. In the third Sr site, Sr(3) is bonded to one O(5), two equivalent O(4), three equivalent O(7), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(4)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra, faces with three equivalent Ta(3)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. The Sr(3)-O(5) bond length is 2.80 Å. Both Sr(3)-O(4) bond lengths are 2.81 Å. There are two shorter (2.80 Å) and one longer (2.82 Å) Sr(3)-O(7) bond length. There are four shorter (2.80 Å) and two longer (2.84 Å) Sr(3)-O(3) bond lengths. In the fourth Sr site, Sr(4) is bonded to one O(5), one O(6), two equivalent O(2), two equivalent O(4), two equivalent O(8), and four equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra, corners with six equivalent Sr(4)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Ta(2)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. The Sr(4)-O(5) bond length is 2.79 Å. The Sr(4)-O(6) bond length is 2.77 Å. Both Sr(4)-O(2) bond lengths are 2.78 Å. Both Sr(4)-O(4) bond lengths are 2.81 Å. Both Sr(4)-O(8) bond lengths are 2.80 Å. There are two shorter (2.79 Å) and two longer (2.81 Å) Sr(4)-O(1) bond lengths. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(5), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Ta(1)-O(5) bond length is 1.97 Å. The Ta(1)-O(8) bond length is 2.01 Å. Both Ta(1)-O(1) bond lengths are 1.99 Å. Both Ta(1)-O(4) bond lengths are 1.99 Å. In the second Ta site, Ta(2) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ta(2)-O(6) bond lengths are 2.00 Å. All Ta(2)-O(2) bond lengths are 1.99 Å. In the third Ta site, Ta(3) is bonded to two equivalent O(7) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ta(3)-O(7) bond lengths are 1.98 Å. All Ta(3)-O(3) bond lengths are 1.99 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Sr(4)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Co(1)-O(6) bond length is 1.96 Å. The Co(1)-O(8) bond length is 1.94 Å. Both Co(1)-O(1) bond lengths are 1.94 Å. Both Co(1)-O(2) bond lengths are 1.95 Å. In the second Co site, Co(2) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(3)O6 octahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Co(2)-O(5) bond length is 2.03 Å. The Co(2)-O(7) bond length is 2.01 Å. Both Co(2)-O(3) bond lengths are 1.98 Å. Both Co(2)-O(4) bond lengths are 1.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Ta(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(4), three equivalent Sr(2), one Ta(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(3), one Ta(3), and one Co(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), two equivalent Sr(1), one Ta(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), one Ta(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OSr4TaCo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Sr(4), three equivalent Sr(2), one Ta(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr4TaCo octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Sr(1), three equivalent Sr(3), one Ta(3), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OSr4TaCo octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Ta(1), and one Co(1) atom.