Sr2CoNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(10), one O(11), one O(3), one O(4), one O(5), one O(8), two equivalent O(2), two equivalent O(6), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra,  a faceface with one Nb(1)O6 octahedra,  a faceface with one Nb(3)O6 octahedra, faces with two equivalent Nb(2)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(2), one O(3), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(7), and three equivalent O(10) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra,  a faceface with one Nb(2)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Nb(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(1), one O(12), one O(2), one O(6), one O(7), one O(9), two equivalent O(11), two equivalent O(4), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(3)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Nb(1)O6 octahedra,  a faceface with one Nb(2)O6 octahedra, faces with two equivalent Nb(3)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), two equivalent O(3), two equivalent O(5), and three equivalent O(12) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(4)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Nb(3)O6 octahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Nb(1)O6 octahedra, and faces with three equivalent Co(2)O6 octahedra. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form NbO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Nb site, Nb(3) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the second Co site, Co(2) is bonded to one O(12), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with three equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Nb(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Nb(2), and one Co(1) atom. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(4), one Nb(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-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), one Sr(4), two equivalent Sr(3), one Nb(3), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Nb(1), and one Co(2) atom. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Nb(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Nb(1), and one Co(1) atom. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(4), two equivalent Sr(3), one Nb(3), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Nb(2), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Sr(1), one Sr(4), two equivalent Sr(3), one Nb(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(3), three equivalent Sr(4), one Nb(1), and one Co(2) atom.
Sr2CoNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(10), one O(11), one O(3), one O(4), one O(5), one O(8), two equivalent O(2), two equivalent O(6), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra,  a faceface with one Nb(1)O6 octahedra,  a faceface with one Nb(3)O6 octahedra, faces with two equivalent Nb(2)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. The Sr(1)-O(10) bond length is 2.89 Å. The Sr(1)-O(11) bond length is 2.80 Å. The Sr(1)-O(3) bond length is 2.85 Å. The Sr(1)-O(4) bond length is 2.79 Å. The Sr(1)-O(5) bond length is 2.88 Å. The Sr(1)-O(8) bond length is 2.78 Å. There is one shorter (2.78 Å) and one longer (2.82 Å) Sr(1)-O(2) bond length. There is one shorter (2.86 Å) and one longer (2.89 Å) Sr(1)-O(6) bond length. There is one shorter (2.79 Å) and one longer (2.89 Å) Sr(1)-O(9) bond length. In the second Sr site, Sr(2) is bonded to one O(2), one O(3), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(7), and three equivalent O(10) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra,  a faceface with one Nb(2)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Nb(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. The Sr(2)-O(2) bond length is 2.86 Å. The Sr(2)-O(3) bond length is 2.84 Å. The Sr(2)-O(5) bond length is 2.82 Å. The Sr(2)-O(6) bond length is 2.80 Å. The Sr(2)-O(9) bond length is 2.81 Å. There is one shorter (2.79 Å) and one longer (2.90 Å) Sr(2)-O(1) bond length. There is one shorter (2.83 Å) and one longer (2.85 Å) Sr(2)-O(7) bond length. There are a spread of Sr(2)-O(10) bond distances ranging from 2.79-2.89 Å. In the third Sr site, Sr(3) is bonded to one O(1), one O(12), one O(2), one O(6), one O(7), one O(9), two equivalent O(11), two equivalent O(4), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(3)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Nb(1)O6 octahedra,  a faceface with one Nb(2)O6 octahedra, faces with two equivalent Nb(3)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. The Sr(3)-O(1) bond length is 2.78 Å. The Sr(3)-O(12) bond length is 2.81 Å. The Sr(3)-O(2) bond length is 2.89 Å. The Sr(3)-O(6) bond length is 2.84 Å. The Sr(3)-O(7) bond length is 2.84 Å. The Sr(3)-O(9) bond length is 2.88 Å. Both Sr(3)-O(11) bond lengths are 2.84 Å. Both Sr(3)-O(4) bond lengths are 2.81 Å. Both Sr(3)-O(8) bond lengths are 2.81 Å. In the fourth Sr site, Sr(4) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), two equivalent O(3), two equivalent O(5), and three equivalent O(12) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(4)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Nb(3)O6 octahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Nb(1)O6 octahedra, and faces with three equivalent Co(2)O6 octahedra. The Sr(4)-O(1) bond length is 2.86 Å. The Sr(4)-O(11) bond length is 2.82 Å. The Sr(4)-O(4) bond length is 2.82 Å. The Sr(4)-O(7) bond length is 2.80 Å. The Sr(4)-O(8) bond length is 2.81 Å. There is one shorter (2.83 Å) and one longer (2.84 Å) Sr(4)-O(3) bond length. There is one shorter (2.79 Å) and one longer (2.84 Å) Sr(4)-O(5) bond length. There is one shorter (2.82 Å) and two longer (2.86 Å) Sr(4)-O(12) bond lengths. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form NbO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Nb(1)-O(1) bond length is 1.99 Å. The Nb(1)-O(10) bond length is 1.96 Å. The Nb(1)-O(12) bond length is 2.06 Å. The Nb(1)-O(3) bond length is 1.96 Å. The Nb(1)-O(5) bond length is 1.98 Å. The Nb(1)-O(7) bond length is 2.09 Å. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-3°. Both Nb(2)-O(2) bond lengths are 2.05 Å. Both Nb(2)-O(6) bond lengths are 1.96 Å. Both Nb(2)-O(9) bond lengths are 2.02 Å. In the third Nb site, Nb(3) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. Both Nb(3)-O(11) bond lengths are 1.98 Å. Both Nb(3)-O(4) bond lengths are 2.00 Å. Both Nb(3)-O(8) bond lengths are 2.01 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(11), one O(2), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. The Co(1)-O(1) bond length is 2.02 Å. The Co(1)-O(10) bond length is 2.02 Å. The Co(1)-O(11) bond length is 1.99 Å. The Co(1)-O(2) bond length is 1.97 Å. The Co(1)-O(6) bond length is 2.07 Å. The Co(1)-O(7) bond length is 1.93 Å. In the second Co site, Co(2) is bonded to one O(12), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with three equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. The Co(2)-O(12) bond length is 1.92 Å. The Co(2)-O(3) bond length is 2.05 Å. The Co(2)-O(4) bond length is 2.01 Å. The Co(2)-O(5) bond length is 2.03 Å. The Co(2)-O(8) bond length is 2.01 Å. The Co(2)-O(9) bond length is 1.98 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Nb(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Nb(2), and one Co(1) atom. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(4), one Nb(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-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), one Sr(4), two equivalent Sr(3), one Nb(3), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Nb(1), and one Co(2) atom. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Nb(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Nb(1), and one Co(1) atom. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(4), two equivalent Sr(3), one Nb(3), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Nb(2), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Sr(1), one Sr(4), two equivalent Sr(3), one Nb(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(3), three equivalent Sr(4), one Nb(1), and one Co(2) atom.