Sr3RuCoO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Ru site, Ru(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-62°.
Sr3RuCoO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. The Sr(1)-O(2) bond length is 2.76 Å. The Sr(1)-O(3) bond length is 2.59 Å. The Sr(1)-O(4) bond length is 2.67 Å. The Sr(1)-O(5) bond length is 2.74 Å. There is one shorter (2.49 Å) and one longer (2.67 Å) Sr(1)-O(1) bond length. There is one shorter (2.48 Å) and one longer (2.63 Å) Sr(1)-O(6) bond length. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. The Sr(2)-O(1) bond length is 2.69 Å. The Sr(2)-O(3) bond length is 2.70 Å. The Sr(2)-O(5) bond length is 2.69 Å. The Sr(2)-O(6) bond length is 2.71 Å. There is one shorter (2.46 Å) and one longer (2.64 Å) Sr(2)-O(2) bond length. There is one shorter (2.47 Å) and one longer (2.64 Å) Sr(2)-O(4) bond length. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. The Sr(3)-O(1) bond length is 2.74 Å. The Sr(3)-O(2) bond length is 2.66 Å. The Sr(3)-O(4) bond length is 2.76 Å. The Sr(3)-O(6) bond length is 2.58 Å. There is one shorter (2.48 Å) and one longer (2.63 Å) Sr(3)-O(3) bond length. There is one shorter (2.49 Å) and one longer (2.67 Å) Sr(3)-O(5) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Ru(1)-O(4) bond lengths are 2.04 Å. Both Ru(1)-O(5) bond lengths are 2.05 Å. Both Ru(1)-O(6) bond lengths are 1.96 Å. In the second Ru site, Ru(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Ru(2)-O(1) bond lengths are 2.05 Å. Both Ru(2)-O(2) bond lengths are 2.04 Å. Both Ru(2)-O(3) bond lengths are 1.96 Å. Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Co(1)-O(1) bond length is 2.11 Å. The Co(1)-O(2) bond length is 2.07 Å. The Co(1)-O(3) bond length is 2.36 Å. The Co(1)-O(4) bond length is 2.07 Å. The Co(1)-O(5) bond length is 2.11 Å. The Co(1)-O(6) bond length is 2.38 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-62°.