Sr3Co2O6 crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the third Co site, Co(3) is bonded in an octahedral geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. In the fourth Co site, Co(4) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(1), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Co(1), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the third O site, O(3) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Co(1), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the fourth O site, O(4) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(2), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Co(2), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the ninth O site, O(9) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Co(2), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the eleventh O site, O(11) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°.
Sr3Co2O6 crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The Sr(1)-O(1) bond length is 2.53 Å. The Sr(1)-O(10) bond length is 2.62 Å. The Sr(1)-O(12) bond length is 2.49 Å. The Sr(1)-O(3) bond length is 2.58 Å. The Sr(1)-O(5) bond length is 2.70 Å. The Sr(1)-O(6) bond length is 2.62 Å. The Sr(1)-O(7) bond length is 2.67 Å. The Sr(1)-O(8) bond length is 2.74 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. The Sr(2)-O(1) bond length is 2.64 Å. The Sr(2)-O(10) bond length is 2.51 Å. The Sr(2)-O(11) bond length is 2.63 Å. The Sr(2)-O(2) bond length is 2.52 Å. The Sr(2)-O(4) bond length is 2.63 Å. The Sr(2)-O(6) bond length is 2.70 Å. The Sr(2)-O(8) bond length is 2.66 Å. The Sr(2)-O(9) bond length is 2.72 Å. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. The Sr(3)-O(11) bond length is 2.53 Å. The Sr(3)-O(12) bond length is 2.59 Å. The Sr(3)-O(2) bond length is 2.60 Å. The Sr(3)-O(3) bond length is 2.49 Å. The Sr(3)-O(4) bond length is 2.75 Å. The Sr(3)-O(5) bond length is 2.67 Å. The Sr(3)-O(7) bond length is 2.71 Å. The Sr(3)-O(9) bond length is 2.62 Å. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. The Sr(4)-O(10) bond length is 2.66 Å. The Sr(4)-O(12) bond length is 2.72 Å. The Sr(4)-O(2) bond length is 2.63 Å. The Sr(4)-O(3) bond length is 2.71 Å. The Sr(4)-O(4) bond length is 2.52 Å. The Sr(4)-O(5) bond length is 2.64 Å. The Sr(4)-O(7) bond length is 2.64 Å. The Sr(4)-O(8) bond length is 2.52 Å. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. The Sr(5)-O(1) bond length is 2.72 Å. The Sr(5)-O(10) bond length is 2.74 Å. The Sr(5)-O(11) bond length is 2.65 Å. The Sr(5)-O(3) bond length is 2.64 Å. The Sr(5)-O(5) bond length is 2.53 Å. The Sr(5)-O(6) bond length is 2.59 Å. The Sr(5)-O(8) bond length is 2.62 Å. The Sr(5)-O(9) bond length is 2.49 Å. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(9) atom. The Sr(6)-O(1) bond length is 2.66 Å. The Sr(6)-O(11) bond length is 2.71 Å. The Sr(6)-O(12) bond length is 2.61 Å. The Sr(6)-O(2) bond length is 2.76 Å. The Sr(6)-O(4) bond length is 2.61 Å. The Sr(6)-O(6) bond length is 2.49 Å. The Sr(6)-O(7) bond length is 2.53 Å. The Sr(6)-O(9) bond length is 2.57 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. The Co(1)-O(1) bond length is 2.14 Å. The Co(1)-O(10) bond length is 2.13 Å. The Co(1)-O(11) bond length is 2.26 Å. The Co(1)-O(12) bond length is 2.18 Å. The Co(1)-O(2) bond length is 2.20 Å. The Co(1)-O(3) bond length is 2.19 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Co(2)-O(4) bond length is 2.13 Å. The Co(2)-O(5) bond length is 2.21 Å. The Co(2)-O(6) bond length is 2.23 Å. The Co(2)-O(7) bond length is 2.20 Å. The Co(2)-O(8) bond length is 2.15 Å. The Co(2)-O(9) bond length is 2.18 Å. In the third Co site, Co(3) is bonded in an octahedral geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. The Co(3)-O(10) bond length is 1.99 Å. The Co(3)-O(11) bond length is 1.90 Å. The Co(3)-O(12) bond length is 2.01 Å. The Co(3)-O(4) bond length is 1.99 Å. The Co(3)-O(5) bond length is 1.91 Å. The Co(3)-O(6) bond length is 1.99 Å. In the fourth Co site, Co(4) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. The Co(4)-O(1) bond length is 1.94 Å. The Co(4)-O(2) bond length is 1.93 Å. The Co(4)-O(3) bond length is 2.02 Å. The Co(4)-O(7) bond length is 1.92 Å. The Co(4)-O(8) bond length is 1.95 Å. The Co(4)-O(9) bond length is 2.03 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(1), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Co(1), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the third O site, O(3) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Co(1), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the fourth O site, O(4) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(2), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Co(2), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the ninth O site, O(9) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Co(2), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the eleventh O site, O(11) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°.