Sr3(Co0.5Nb0.5)2O7 is (La,Ba)CuO4-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(11), two equivalent O(13), and four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(12), two equivalent O(14), and four equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(7), two equivalent O(9), and four equivalent O(3) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(10), two equivalent O(8), and four equivalent O(4) atoms. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to two equivalent O(7), two equivalent O(9), and four equivalent O(2) atoms. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(8), and four equivalent O(1) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(5), two equivalent O(11), and two equivalent O(13) atoms to form NbO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Nb site, Nb(2) is bonded to one O(2), one O(6), two equivalent O(12), and two equivalent O(14) atoms to form NbO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Co site, Co(2) is bonded to one O(2), one O(3), two equivalent O(7), and two equivalent O(9) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Sr(6), one Nb(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(5), one Nb(2), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), four equivalent Sr(3), and one Co(2) atom. In the fourth O site, O(4) is bonded to one Sr(2), four equivalent Sr(4), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(10)Sr4Co2 octahedra, corners with four equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, edges with four equivalent O(6)Sr5Nb octahedra, faces with two equivalent O(10)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 15-54°. In the fifth O site, O(5) is bonded to one Sr(3), four equivalent Sr(1), and one Nb(1) atom to form OSr5Nb octahedra that share corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(9)Sr4Co2 octahedra, corners with four equivalent O(5)Sr5Nb octahedra, and edges with four equivalent O(5)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 6-49°. In the sixth O site, O(6) is bonded to one Sr(4), four equivalent Sr(2), and one Nb(2) atom to form OSr5Nb octahedra that share corners with two equivalent O(10)Sr4Co2 octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(6)Sr5Nb octahedra, edges with four equivalent O(4)Sr5Co octahedra, and edges with four equivalent O(6)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the seventh O site, O(7) is bonded to two equivalent Sr(3), two equivalent Sr(5), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(7)Sr4Co2 octahedra, and faces with four equivalent O(9)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-48°. In the eighth O site, O(8) is bonded to two equivalent Sr(4), two equivalent Sr(6), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(8)Sr4Co2 octahedra, corners with two equivalent O(6)Sr5Nb octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(8)Sr4Co2 octahedra, faces with two equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(10)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. In the ninth O site, O(9) is bonded to two equivalent Sr(3), two equivalent Sr(5), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(9)Sr4Co2 octahedra, corners with two equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(9)Sr4Co2 octahedra, and faces with four equivalent O(7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 13-49°. In the tenth O site, O(10) is bonded to two equivalent Sr(4), two equivalent Sr(6), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(10)Sr4Co2 octahedra, corners with two equivalent O(6)Sr5Nb octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(10)Sr4Co2 octahedra, faces with two equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the twelfth O site, O(12) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Nb(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Nb(2) atoms.
Sr3(Co0.5Nb0.5)2O7 is (La,Ba)CuO4-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(11), two equivalent O(13), and four equivalent O(5) atoms. The Sr(1)-O(3) bond length is 2.40 Å. There is one shorter (2.71 Å) and one longer (2.72 Å) Sr(1)-O(11) bond length. Both Sr(1)-O(13) bond lengths are 2.71 Å. There are a spread of Sr(1)-O(5) bond distances ranging from 2.81-2.83 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(12), two equivalent O(14), and four equivalent O(6) atoms. The Sr(2)-O(4) bond length is 2.33 Å. Both Sr(2)-O(12) bond lengths are 2.78 Å. There is one shorter (2.77 Å) and one longer (2.78 Å) Sr(2)-O(14) bond length. There are a spread of Sr(2)-O(6) bond distances ranging from 2.80-2.82 Å. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(7), two equivalent O(9), and four equivalent O(3) atoms. The Sr(3)-O(5) bond length is 2.58 Å. Both Sr(3)-O(7) bond lengths are 2.70 Å. There is one shorter (2.67 Å) and one longer (2.70 Å) Sr(3)-O(9) bond length. There are a spread of Sr(3)-O(3) bond distances ranging from 2.76-2.90 Å. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(10), two equivalent O(8), and four equivalent O(4) atoms. The Sr(4)-O(6) bond length is 2.66 Å. There is one shorter (2.67 Å) and one longer (2.71 Å) Sr(4)-O(10) bond length. There is one shorter (2.68 Å) and one longer (2.71 Å) Sr(4)-O(8) bond length. There are a spread of Sr(4)-O(4) bond distances ranging from 2.79-2.89 Å. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to two equivalent O(7), two equivalent O(9), and four equivalent O(2) atoms. There is one shorter (2.60 Å) and one longer (2.61 Å) Sr(5)-O(7) bond length. There is one shorter (2.58 Å) and one longer (2.64 Å) Sr(5)-O(9) bond length. There are a spread of Sr(5)-O(2) bond distances ranging from 2.83-2.89 Å. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(8), and four equivalent O(1) atoms. There is one shorter (2.55 Å) and one longer (2.57 Å) Sr(6)-O(10) bond length. There is one shorter (2.55 Å) and one longer (2.57 Å) Sr(6)-O(8) bond length. There are a spread of Sr(6)-O(1) bond distances ranging from 2.87-2.90 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(5), two equivalent O(11), and two equivalent O(13) atoms to form NbO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. The Nb(1)-O(1) bond length is 1.90 Å. The Nb(1)-O(5) bond length is 2.13 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) Nb(1)-O(11) bond length. There is one shorter (1.99 Å) and one longer (2.00 Å) Nb(1)-O(13) bond length. In the second Nb site, Nb(2) is bonded to one O(2), one O(6), two equivalent O(12), and two equivalent O(14) atoms to form NbO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. The Nb(2)-O(2) bond length is 1.94 Å. The Nb(2)-O(6) bond length is 2.07 Å. There is one shorter (1.98 Å) and one longer (2.00 Å) Nb(2)-O(12) bond length. There is one shorter (1.99 Å) and one longer (2.00 Å) Nb(2)-O(14) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. The Co(1)-O(1) bond length is 2.44 Å. The Co(1)-O(4) bond length is 2.00 Å. There is one shorter (1.99 Å) and one longer (2.01 Å) Co(1)-O(10) bond length. There is one shorter (1.99 Å) and one longer (2.00 Å) Co(1)-O(8) bond length. In the second Co site, Co(2) is bonded to one O(2), one O(3), two equivalent O(7), and two equivalent O(9) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. The Co(2)-O(2) bond length is 2.44 Å. The Co(2)-O(3) bond length is 1.91 Å. There is one shorter (1.91 Å) and one longer (2.09 Å) Co(2)-O(7) bond length. There is one shorter (2.00 Å) and one longer (2.02 Å) Co(2)-O(9) bond length. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Sr(6), one Nb(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(5), one Nb(2), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), four equivalent Sr(3), and one Co(2) atom. In the fourth O site, O(4) is bonded to one Sr(2), four equivalent Sr(4), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(10)Sr4Co2 octahedra, corners with four equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, edges with four equivalent O(6)Sr5Nb octahedra, faces with two equivalent O(10)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 15-54°. In the fifth O site, O(5) is bonded to one Sr(3), four equivalent Sr(1), and one Nb(1) atom to form OSr5Nb octahedra that share corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(9)Sr4Co2 octahedra, corners with four equivalent O(5)Sr5Nb octahedra, and edges with four equivalent O(5)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 6-49°. In the sixth O site, O(6) is bonded to one Sr(4), four equivalent Sr(2), and one Nb(2) atom to form OSr5Nb octahedra that share corners with two equivalent O(10)Sr4Co2 octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(6)Sr5Nb octahedra, edges with four equivalent O(4)Sr5Co octahedra, and edges with four equivalent O(6)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the seventh O site, O(7) is bonded to two equivalent Sr(3), two equivalent Sr(5), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(7)Sr4Co2 octahedra, and faces with four equivalent O(9)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-48°. In the eighth O site, O(8) is bonded to two equivalent Sr(4), two equivalent Sr(6), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(8)Sr4Co2 octahedra, corners with two equivalent O(6)Sr5Nb octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(8)Sr4Co2 octahedra, faces with two equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(10)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. In the ninth O site, O(9) is bonded to two equivalent Sr(3), two equivalent Sr(5), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(9)Sr4Co2 octahedra, corners with two equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(9)Sr4Co2 octahedra, and faces with four equivalent O(7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 13-49°. In the tenth O site, O(10) is bonded to two equivalent Sr(4), two equivalent Sr(6), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(10)Sr4Co2 octahedra, corners with two equivalent O(6)Sr5Nb octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(10)Sr4Co2 octahedra, faces with two equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the twelfth O site, O(12) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Nb(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Nb(2) atoms.