Sr3TaCoO7 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Imm2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Ta(1) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form TaO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Co(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), four equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(4)Sr4Co2 octahedra, corners with four equivalent O(5)Sr4Co2 octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Ta octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, and faces with two equivalent O(5)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 13-54°. In the second O site, O(2) is bonded to one Sr(3), four equivalent Sr(2), and one Ta(1) atom to form OSr5Ta octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(5)Sr4Co2 octahedra, corners with four equivalent O(2)Sr5Ta octahedra, edges with four equivalent O(1)Sr5Co octahedra, and edges with four equivalent O(2)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 3-47°. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Sr(1), one Ta(1), and one Co(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ta octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(1)Sr5Co octahedra, and faces with four equivalent O(5)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(5)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ta octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(5)Sr4Co2 octahedra, faces with two equivalent O(1)Sr5Co octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 13-53°. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms.
Sr3TaCoO7 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Imm2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(3) atoms. Both Sr(1)-O(4) bond lengths are 2.57 Å. Both Sr(1)-O(5) bond lengths are 2.60 Å. All Sr(1)-O(3) bond lengths are 2.87 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. The Sr(2)-O(1) bond length is 2.36 Å. Both Sr(2)-O(6) bond lengths are 2.74 Å. Both Sr(2)-O(7) bond lengths are 2.74 Å. All Sr(2)-O(2) bond lengths are 2.79 Å. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. The Sr(3)-O(2) bond length is 2.62 Å. Both Sr(3)-O(4) bond lengths are 2.71 Å. Both Sr(3)-O(5) bond lengths are 2.72 Å. All Sr(3)-O(1) bond lengths are 2.81 Å. Ta(1) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form TaO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. The Ta(1)-O(2) bond length is 2.10 Å. The Ta(1)-O(3) bond length is 1.91 Å. Both Ta(1)-O(6) bond lengths are 1.99 Å. Both Ta(1)-O(7) bond lengths are 1.96 Å. Co(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Co(1)-O(1) bond length is 1.96 Å. The Co(1)-O(3) bond length is 2.55 Å. Both Co(1)-O(4) bond lengths are 2.00 Å. Both Co(1)-O(5) bond lengths are 1.97 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), four equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(4)Sr4Co2 octahedra, corners with four equivalent O(5)Sr4Co2 octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Ta octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, and faces with two equivalent O(5)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 13-54°. In the second O site, O(2) is bonded to one Sr(3), four equivalent Sr(2), and one Ta(1) atom to form OSr5Ta octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(5)Sr4Co2 octahedra, corners with four equivalent O(2)Sr5Ta octahedra, edges with four equivalent O(1)Sr5Co octahedra, and edges with four equivalent O(2)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 3-47°. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Sr(1), one Ta(1), and one Co(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ta octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(1)Sr5Co octahedra, and faces with four equivalent O(5)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(5)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ta octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(5)Sr4Co2 octahedra, faces with two equivalent O(1)Sr5Co octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 13-53°. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms.