Sr3CoZnO6 crystallizes in the triclinic P-1 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(2), one O(3), one O(5), one O(8), one O(9), and two equivalent O(11) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), one O(7), and two equivalent O(12) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(5), one O(7), one O(8), one O(9), and two equivalent O(3) atoms. 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(6), one O(7), one O(8), and two equivalent O(4) atoms. In the fifth Sr site, Sr(5) 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(9) atom. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second Co site, Co(2) is bonded in an octahedral geometry to two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms. In the third Co site, Co(3) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Co site, Co(4) is bonded in an octahedral geometry to two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(6), 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(3), one Sr(5), one Co(3), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo 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(2), one Sr(4), one Sr(6), one Co(1), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the third O site, O(3) is bonded to one Sr(1), one Sr(5), two equivalent Sr(3), one Co(3), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(6), two equivalent Sr(4), one Co(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(5), one Sr(6), one Co(3), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo 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(4), one Sr(5), one Sr(6), one Co(1), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the seventh O site, O(7) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(5), one Co(2), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(4), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(3), one Sr(5), one Sr(6), one Co(4), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(4), one Sr(5), one Sr(6), one Co(2), and one Zn(1) atom. In the eleventh O site, O(11) is bonded to one Sr(3), one Sr(6), two equivalent Sr(1), one Co(4), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the twelfth O site, O(12) is bonded to one Sr(4), one Sr(5), two equivalent Sr(2), one Co(2), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-69°.
Sr3CoZnO6 crystallizes in the triclinic P-1 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(2), one O(3), one O(5), one O(8), one O(9), and two equivalent O(11) atoms. The Sr(1)-O(1) bond length is 2.59 Å. The Sr(1)-O(2) bond length is 2.56 Å. The Sr(1)-O(3) bond length is 2.70 Å. The Sr(1)-O(5) bond length is 2.67 Å. The Sr(1)-O(8) bond length is 2.65 Å. The Sr(1)-O(9) bond length is 2.69 Å. There is one shorter (2.53 Å) and one longer (2.61 Å) Sr(1)-O(11) bond length. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), one O(7), and two equivalent O(12) atoms. The Sr(2)-O(1) bond length is 2.51 Å. The Sr(2)-O(10) bond length is 2.69 Å. The Sr(2)-O(2) bond length is 2.62 Å. The Sr(2)-O(4) bond length is 2.68 Å. The Sr(2)-O(6) bond length is 2.64 Å. The Sr(2)-O(7) bond length is 2.67 Å. There is one shorter (2.55 Å) and one longer (2.61 Å) Sr(2)-O(12) bond length. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(5), one O(7), one O(8), one O(9), and two equivalent O(3) atoms. The Sr(3)-O(1) bond length is 2.63 Å. The Sr(3)-O(11) bond length is 2.80 Å. The Sr(3)-O(5) bond length is 2.69 Å. The Sr(3)-O(7) bond length is 2.49 Å. The Sr(3)-O(8) bond length is 2.72 Å. The Sr(3)-O(9) bond length is 2.57 Å. There is one shorter (2.50 Å) and one longer (2.67 Å) Sr(3)-O(3) bond length. 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(6), one O(7), one O(8), and two equivalent O(4) atoms. The Sr(4)-O(10) bond length is 2.56 Å. The Sr(4)-O(12) bond length is 2.82 Å. The Sr(4)-O(2) bond length is 2.65 Å. The Sr(4)-O(6) bond length is 2.70 Å. The Sr(4)-O(7) bond length is 2.68 Å. The Sr(4)-O(8) bond length is 2.52 Å. There is one shorter (2.57 Å) and one longer (2.66 Å) Sr(4)-O(4) bond length. In the fifth Sr site, Sr(5) 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(9) atom. The Sr(5)-O(1) bond length is 2.80 Å. The Sr(5)-O(10) bond length is 2.67 Å. The Sr(5)-O(12) bond length is 2.65 Å. The Sr(5)-O(3) bond length is 2.55 Å. The Sr(5)-O(5) bond length is 2.69 Å. The Sr(5)-O(6) bond length is 2.51 Å. The Sr(5)-O(7) bond length is 2.70 Å. The Sr(5)-O(9) bond length is 2.50 Å. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. The Sr(6)-O(10) bond length is 2.56 Å. The Sr(6)-O(11) bond length is 2.62 Å. The Sr(6)-O(2) bond length is 2.82 Å. The Sr(6)-O(4) bond length is 2.56 Å. The Sr(6)-O(5) bond length is 2.51 Å. The Sr(6)-O(6) bond length is 2.71 Å. The Sr(6)-O(8) bond length is 2.70 Å. The Sr(6)-O(9) bond length is 2.66 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Both Co(1)-O(2) bond lengths are 1.94 Å. Both Co(1)-O(4) bond lengths are 1.84 Å. Both Co(1)-O(6) bond lengths are 2.17 Å. In the second Co site, Co(2) is bonded in an octahedral geometry to two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms. Both Co(2)-O(10) bond lengths are 1.82 Å. Both Co(2)-O(12) bond lengths are 1.96 Å. Both Co(2)-O(7) bond lengths are 2.16 Å. In the third Co site, Co(3) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. Both Co(3)-O(1) bond lengths are 2.01 Å. Both Co(3)-O(3) bond lengths are 1.91 Å. Both Co(3)-O(5) bond lengths are 2.10 Å. In the fourth Co site, Co(4) is bonded in an octahedral geometry to two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms. Both Co(4)-O(11) bond lengths are 1.99 Å. Both Co(4)-O(8) bond lengths are 2.11 Å. Both Co(4)-O(9) bond lengths are 1.92 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom. The Zn(1)-O(1) bond length is 2.15 Å. The Zn(1)-O(10) bond length is 2.53 Å. The Zn(1)-O(12) bond length is 2.17 Å. The Zn(1)-O(3) bond length is 2.38 Å. The Zn(1)-O(5) bond length is 2.08 Å. The Zn(1)-O(7) bond length is 2.03 Å. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. The Zn(2)-O(11) bond length is 2.16 Å. The Zn(2)-O(2) bond length is 2.19 Å. The Zn(2)-O(4) bond length is 2.53 Å. The Zn(2)-O(6) bond length is 2.03 Å. The Zn(2)-O(8) bond length is 2.08 Å. The Zn(2)-O(9) bond length is 2.38 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(3), one Sr(5), one Co(3), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo 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(2), one Sr(4), one Sr(6), one Co(1), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the third O site, O(3) is bonded to one Sr(1), one Sr(5), two equivalent Sr(3), one Co(3), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(6), two equivalent Sr(4), one Co(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(5), one Sr(6), one Co(3), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo 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(4), one Sr(5), one Sr(6), one Co(1), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the seventh O site, O(7) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(5), one Co(2), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(4), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(3), one Sr(5), one Sr(6), one Co(4), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(4), one Sr(5), one Sr(6), one Co(2), and one Zn(1) atom. In the eleventh O site, O(11) is bonded to one Sr(3), one Sr(6), two equivalent Sr(1), one Co(4), and one Zn(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the twelfth O site, O(12) is bonded to one Sr(4), one Sr(5), two equivalent Sr(2), one Co(2), and one Zn(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4ZnCo octahedra. The corner-sharing octahedral tilt angles range from 0-69°.