Sr2CoCuSO3 crystallizes in the tetragonal P4mm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent S(2) and four equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted corner-sharing CoO5 square pyramids. In the second Co site, Co(2) is bonded to one O(4) and four equivalent O(2) atoms to form corner-sharing CoO5 square pyramids. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2) and four equivalent Cu(1) atoms. There are four inequivalent O sites. In the first O site, O(1) 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(1)Sr4Co2 octahedra, corners with two equivalent O(4)Sr5Co octahedra, corners with four equivalent O(3)Sr5Co octahedra, edges with two equivalent O(1)Sr4Co2 octahedra, faces with two equivalent O(3)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 26-57°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(2)Sr4Co2 octahedra, corners with two equivalent O(3)Sr5Co octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(2)Sr4Co2 octahedra, faces with two equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-53°. In the third O site, O(3) is bonded to one Sr(4), four equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(2)Sr4Co2 octahedra, corners with four equivalent O(3)Sr5Co octahedra, corners with eight equivalent O(1)Sr4Co2 octahedra, edges with four equivalent O(3)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 10-57°. In the fourth O site, O(4) is bonded to one Sr(3), four equivalent Sr(4), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(1)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Co octahedra, corners with eight equivalent O(2)Sr4Co2 octahedra, edges with four equivalent O(3)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-53°.
Sr2CoCuSO3 crystallizes in the tetragonal P4mm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. All Sr(1)-S(1) bond lengths are 3.21 Å. All Sr(1)-O(1) bond lengths are 2.50 Å. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent S(2) and four equivalent O(2) atoms. All Sr(2)-S(2) bond lengths are 3.22 Å. All Sr(2)-O(2) bond lengths are 2.51 Å. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. The Sr(3)-O(4) bond length is 2.37 Å. All Sr(3)-O(1) bond lengths are 2.80 Å. All Sr(3)-O(3) bond lengths are 2.77 Å. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. The Sr(4)-O(3) bond length is 2.58 Å. All Sr(4)-O(2) bond lengths are 2.75 Å. All Sr(4)-O(4) bond lengths are 2.79 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted corner-sharing CoO5 square pyramids. The Co(1)-O(3) bond length is 1.80 Å. All Co(1)-O(1) bond lengths are 2.00 Å. In the second Co site, Co(2) is bonded to one O(4) and four equivalent O(2) atoms to form corner-sharing CoO5 square pyramids. The Co(2)-O(4) bond length is 2.07 Å. All Co(2)-O(2) bond lengths are 1.97 Å. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. Both Cu(1)-S(1) bond lengths are 2.40 Å. Both Cu(1)-S(2) bond lengths are 2.39 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(2) and four equivalent Cu(1) atoms. There are four inequivalent O sites. In the first O site, O(1) 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(1)Sr4Co2 octahedra, corners with two equivalent O(4)Sr5Co octahedra, corners with four equivalent O(3)Sr5Co octahedra, edges with two equivalent O(1)Sr4Co2 octahedra, faces with two equivalent O(3)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 26-57°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(2)Sr4Co2 octahedra, corners with two equivalent O(3)Sr5Co octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(2)Sr4Co2 octahedra, faces with two equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-53°. In the third O site, O(3) is bonded to one Sr(4), four equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(2)Sr4Co2 octahedra, corners with four equivalent O(3)Sr5Co octahedra, corners with eight equivalent O(1)Sr4Co2 octahedra, edges with four equivalent O(3)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 10-57°. In the fourth O site, O(4) is bonded to one Sr(3), four equivalent Sr(4), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(1)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Co octahedra, corners with eight equivalent O(2)Sr4Co2 octahedra, edges with four equivalent O(3)Sr5Co octahedra, edges with four equivalent O(4)Sr5Co octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 18-53°.