Sr2CoNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), two equivalent O(4), three equivalent O(2), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Co(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(2), two equivalent O(3), three equivalent O(1), and six equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Co(2)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. Nb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)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 two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), one Nb(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Sr(2), three equivalent Sr(1), one Nb(1), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°.
Sr2CoNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), two equivalent O(4), three equivalent O(2), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Co(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. The Sr(1)-O(1) bond length is 2.86 Å. Both Sr(1)-O(4) bond lengths are 2.82 Å. There are two shorter (2.86 Å) and one longer (2.87 Å) Sr(1)-O(2) bond length. There are a spread of Sr(1)-O(3) bond distances ranging from 2.81-2.83 Å. In the second Sr site, Sr(2) is bonded to one O(2), two equivalent O(3), three equivalent O(1), and six equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Co(2)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. The Sr(2)-O(2) bond length is 2.86 Å. Both Sr(2)-O(3) bond lengths are 2.82 Å. There is one shorter (2.85 Å) and two longer (2.86 Å) Sr(2)-O(1) bond lengths. There are two shorter (2.81 Å) and four longer (2.82 Å) Sr(2)-O(4) bond lengths. Nb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. The Nb(1)-O(1) bond length is 2.02 Å. The Nb(1)-O(2) bond length is 2.02 Å. Both Nb(1)-O(3) bond lengths are 2.00 Å. Both Nb(1)-O(4) bond lengths are 2.00 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Co(1)-O(2) bond lengths are 1.91 Å. All Co(1)-O(3) bond lengths are 2.05 Å. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Co(2)-O(1) bond lengths are 1.91 Å. All Co(2)-O(4) bond lengths are 2.05 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), one Nb(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Sr(2), three equivalent Sr(1), one Nb(1), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°.