Sr3(Co0.5Nb0.5)2O7 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic Cc 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); four equivalent O(5); and four O(9,9) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4); four O(10,10); and four equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(5); four equivalent O(3); and four O(7,7) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(6); four equivalent O(4); and four O(8,8) atoms. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to four equivalent O(2) and four O(7,7) atoms. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to four equivalent O(1) and four O(8,8) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1); one O(5); and four O(9,9) 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 0-6°. In the second Nb site, Nb(2) is bonded to one O(2); one O(6); and four O(10,10) 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 0-7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1); one O(4); and four O(8,8) 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 0-12°. In the second Co site, Co(2) is bonded to one O(2); one O(3); and four O(7,7) 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 0-12°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate 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 distorted single-bond geometry to four equivalent Sr(5), one Nb(2), and one Co(2) atom. In the third O site, O(3) is bonded to one Sr(1), four equivalent Sr(3), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(3)Sr5Co octahedra; corners with eight O(7,7)Sr4Co2 octahedra; edges with four equivalent O(3)Sr5Co octahedra; edges with four equivalent O(5)Sr5Nb octahedra; and faces with four O(7,7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-56°. 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(4)Sr5Co octahedra; corners with eight O(8,8)Sr4Co2 octahedra; edges with four equivalent O(4)Sr5Co octahedra; edges with four equivalent O(6)Sr5Nb octahedra; and faces with four O(8,8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 13-56°. 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 four O(7,7)Sr4Co2 octahedra; corners with four equivalent O(5)Sr5Nb octahedra; edges with four equivalent O(3)Sr5Co octahedra; and edges with four equivalent O(5)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 4-47°. 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 four O(8,8)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 3-47°. 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; corners with four equivalent O(3)Sr5Co octahedra; edges with two equivalent O(7)Sr4Co2 octahedra; faces with two equivalent O(3)Sr5Co octahedra; and faces with four O(7,7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. 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 O(8,8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the ninth 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; corners with four equivalent O(3)Sr5Co octahedra; edges with two equivalent O(7)Sr4Co2 octahedra; faces with two equivalent O(3)Sr5Co octahedra; and faces with four O(7,7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the tenth 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 O(8,8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the eleventh O site, O(9) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the twelfth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Nb(2) atoms. In the thirteenth O site, O(9) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the fourteenth O site, O(10) 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 monoclinic Cc 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); four equivalent O(5); and four O(9,9) atoms. The Sr(1)-O(3) bond length is 2.36 Å. There are two shorter (2.81 Å) and two longer (2.82 Å) Sr(1)-O(5) bond lengths. There is one shorter (2.75 Å) and three longer (2.76 Å) Sr(1)-O(9,9) bond lengths. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4); four O(10,10); and four equivalent O(6) atoms. The Sr(2)-O(4) bond length is 2.36 Å. There is one shorter (2.75 Å) and three longer (2.76 Å) Sr(2)-O(10,10) bond lengths. There are two shorter (2.81 Å) and two longer (2.82 Å) Sr(2)-O(6) bond lengths. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(5); four equivalent O(3); and four O(7,7) atoms. The Sr(3)-O(5) bond length is 2.61 Å. There are three shorter (2.83 Å) and one longer (2.84 Å) Sr(3)-O(3) bond length. There is one shorter (2.72 Å) and three longer (2.73 Å) Sr(3)-O(7,7) bond lengths. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(6); four equivalent O(4); and four O(8,8) atoms. The Sr(4)-O(6) bond length is 2.60 Å. There are three shorter (2.83 Å) and one longer (2.84 Å) Sr(4)-O(4) bond length. There are two shorter (2.72 Å) and two longer (2.73 Å) Sr(4)-O(8,8) bond lengths. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to four equivalent O(2) and four O(7,7) atoms. There are two shorter (2.87 Å) and two longer (2.88 Å) Sr(5)-O(2) bond lengths. There are two shorter (2.59 Å) and two longer (2.60 Å) Sr(5)-O(7,7) bond lengths. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to four equivalent O(1) and four O(8,8) atoms. There are three shorter (2.87 Å) and one longer (2.88 Å) Sr(6)-O(1) bond length. All Sr(6)-O(8,8) bond lengths are 2.59 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1); one O(5); and four O(9,9) 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 0-6°. The Nb(1)-O(1) bond length is 1.92 Å. The Nb(1)-O(5) bond length is 2.10 Å. All Nb(1)-O(9,9) bond lengths are 1.99 Å. In the second Nb site, Nb(2) is bonded to one O(2); one O(6); and four O(10,10) 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 0-7°. The Nb(2)-O(2) bond length is 1.92 Å. The Nb(2)-O(6) bond length is 2.10 Å. There are three shorter (1.99 Å) and one longer (2.00 Å) Nb(2)-O(10,10) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1); one O(4); and four O(8,8) 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 0-12°. The Co(1)-O(1) bond length is 2.44 Å. The Co(1)-O(4) bond length is 1.99 Å. There are two shorter (1.89 Å) and two longer (2.11 Å) Co(1)-O(8,8) bond lengths. In the second Co site, Co(2) is bonded to one O(2); one O(3); and four O(7,7) 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 0-12°. The Co(2)-O(2) bond length is 2.47 Å. The Co(2)-O(3) bond length is 1.99 Å. There are two shorter (1.89 Å) and two longer (2.11 Å) Co(2)-O(7,7) bond lengths. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate 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 distorted single-bond geometry to four equivalent Sr(5), one Nb(2), and one Co(2) atom. In the third O site, O(3) is bonded to one Sr(1), four equivalent Sr(3), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(3)Sr5Co octahedra; corners with eight O(7,7)Sr4Co2 octahedra; edges with four equivalent O(3)Sr5Co octahedra; edges with four equivalent O(5)Sr5Nb octahedra; and faces with four O(7,7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-56°. 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(4)Sr5Co octahedra; corners with eight O(8,8)Sr4Co2 octahedra; edges with four equivalent O(4)Sr5Co octahedra; edges with four equivalent O(6)Sr5Nb octahedra; and faces with four O(8,8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 13-56°. 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 four O(7,7)Sr4Co2 octahedra; corners with four equivalent O(5)Sr5Nb octahedra; edges with four equivalent O(3)Sr5Co octahedra; and edges with four equivalent O(5)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 4-47°. 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 four O(8,8)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 3-47°. 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; corners with four equivalent O(3)Sr5Co octahedra; edges with two equivalent O(7)Sr4Co2 octahedra; faces with two equivalent O(3)Sr5Co octahedra; and faces with four O(7,7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. 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 O(8,8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the ninth 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; corners with four equivalent O(3)Sr5Co octahedra; edges with two equivalent O(7)Sr4Co2 octahedra; faces with two equivalent O(3)Sr5Co octahedra; and faces with four O(7,7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the tenth 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 O(8,8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the eleventh O site, O(9) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the twelfth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Nb(2) atoms. In the thirteenth O site, O(9) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the fourteenth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Nb(2) atoms.