SrYCoO4 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(15), one O(5), one O(7), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(2), one O(6), one O(8), and two equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(16), one O(3), one O(5), one O(7), one O(9), and two equivalent O(6) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(14), one O(4), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(14), one O(3), one O(5), one O(9), and two equivalent O(2) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(14), one O(15), one O(2), one O(6), and two equivalent O(3) atoms. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(15), one O(16), one O(7), and two equivalent O(4) atoms. In the fourth Y site, Y(4) is bonded in a 8-coordinate geometry to one O(12), one O(13), one O(16), one O(4), one O(8), one O(9), and two equivalent O(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(15), one O(16), one O(4), and one O(5) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(13), one O(16), one O(6), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. In the third Co site, Co(3) is bonded to one O(10), one O(13), one O(14), one O(2), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. In the fourth Co site, Co(4) is bonded to one O(10), one O(11), one O(14), one O(15), one O(3), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Y(3), two equivalent Y(4), and one Co(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), one Y(2), two equivalent Y(1), and one Co(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(3), one Y(1), two equivalent Y(2), and one Co(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(4), one Y(4), two equivalent Y(3), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Y(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(4), two equivalent Sr(3), one Y(2), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(4), one Y(3), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(4), two equivalent Sr(1), one Y(4), and one Co(4) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Y(1), one Y(4), one Co(2), and one Co(3) atom. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(4), one Y(1), one Y(2), one Co(3), and one Co(4) atom to form distorted face-sharing OSr2Y2Co2 octahedra. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Y(2), one Y(3), one Co(1), and one Co(4) atom. In the twelfth O site, O(12) is bonded to one Sr(2), one Sr(3), one Y(3), one Y(4), one Co(1), and one Co(2) atom to form distorted face-sharing OSr2Y2Co2 octahedra. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Y(1), one Y(4), one Co(2), and one Co(3) atom. In the fourteenth O site, O(14) is bonded to one Sr(1), one Sr(4), one Y(1), one Y(2), one Co(3), and one Co(4) atom to form distorted face-sharing OSr2Y2Co2 octahedra. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Y(2), one Y(3), one Co(1), and one Co(4) atom. In the sixteenth O site, O(16) is bonded to one Sr(2), one Sr(3), one Y(3), one Y(4), one Co(1), and one Co(2) atom to form distorted face-sharing OSr2Y2Co2 octahedra.
SrYCoO4 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(15), one O(5), one O(7), and two equivalent O(8) atoms. The Sr(1)-O(1) bond length is 2.39 Å. The Sr(1)-O(10) bond length is 2.58 Å. The Sr(1)-O(11) bond length is 2.80 Å. The Sr(1)-O(14) bond length is 2.58 Å. The Sr(1)-O(15) bond length is 2.80 Å. The Sr(1)-O(5) bond length is 2.58 Å. The Sr(1)-O(7) bond length is 3.02 Å. Both Sr(1)-O(8) bond lengths are 2.70 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(2), one O(6), one O(8), and two equivalent O(5) atoms. The Sr(2)-O(11) bond length is 2.83 Å. The Sr(2)-O(12) bond length is 2.60 Å. The Sr(2)-O(15) bond length is 2.83 Å. The Sr(2)-O(16) bond length is 2.59 Å. The Sr(2)-O(2) bond length is 2.35 Å. The Sr(2)-O(6) bond length is 2.99 Å. The Sr(2)-O(8) bond length is 2.58 Å. There is one shorter (2.71 Å) and one longer (2.72 Å) Sr(2)-O(5) bond length. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(16), one O(3), one O(5), one O(7), one O(9), and two equivalent O(6) atoms. The Sr(3)-O(12) bond length is 2.58 Å. The Sr(3)-O(13) bond length is 2.80 Å. The Sr(3)-O(16) bond length is 2.58 Å. The Sr(3)-O(3) bond length is 2.39 Å. The Sr(3)-O(5) bond length is 3.02 Å. The Sr(3)-O(7) bond length is 2.58 Å. The Sr(3)-O(9) bond length is 2.79 Å. Both Sr(3)-O(6) bond lengths are 2.70 Å. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(14), one O(4), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. The Sr(4)-O(10) bond length is 2.60 Å. The Sr(4)-O(13) bond length is 2.83 Å. The Sr(4)-O(14) bond length is 2.59 Å. The Sr(4)-O(4) bond length is 2.35 Å. The Sr(4)-O(6) bond length is 2.58 Å. The Sr(4)-O(8) bond length is 2.99 Å. The Sr(4)-O(9) bond length is 2.83 Å. Both Sr(4)-O(7) bond lengths are 2.71 Å. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(14), one O(3), one O(5), one O(9), and two equivalent O(2) atoms. The Y(1)-O(10) bond length is 2.54 Å. The Y(1)-O(13) bond length is 2.41 Å. The Y(1)-O(14) bond length is 2.53 Å. The Y(1)-O(3) bond length is 2.33 Å. The Y(1)-O(5) bond length is 2.20 Å. The Y(1)-O(9) bond length is 2.41 Å. There is one shorter (2.67 Å) and one longer (2.73 Å) Y(1)-O(2) bond length. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(14), one O(15), one O(2), one O(6), and two equivalent O(3) atoms. The Y(2)-O(10) bond length is 2.49 Å. The Y(2)-O(11) bond length is 2.44 Å. The Y(2)-O(14) bond length is 2.50 Å. The Y(2)-O(15) bond length is 2.44 Å. The Y(2)-O(2) bond length is 2.25 Å. The Y(2)-O(6) bond length is 2.28 Å. Both Y(2)-O(3) bond lengths are 2.69 Å. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(15), one O(16), one O(7), and two equivalent O(4) atoms. The Y(3)-O(1) bond length is 2.32 Å. The Y(3)-O(11) bond length is 2.41 Å. The Y(3)-O(12) bond length is 2.54 Å. The Y(3)-O(15) bond length is 2.41 Å. The Y(3)-O(16) bond length is 2.54 Å. The Y(3)-O(7) bond length is 2.20 Å. There is one shorter (2.70 Å) and one longer (2.71 Å) Y(3)-O(4) bond length. In the fourth Y site, Y(4) is bonded in a 8-coordinate geometry to one O(12), one O(13), one O(16), one O(4), one O(8), one O(9), and two equivalent O(1) atoms. The Y(4)-O(12) bond length is 2.49 Å. The Y(4)-O(13) bond length is 2.44 Å. The Y(4)-O(16) bond length is 2.49 Å. The Y(4)-O(4) bond length is 2.25 Å. The Y(4)-O(8) bond length is 2.28 Å. The Y(4)-O(9) bond length is 2.44 Å. There is one shorter (2.68 Å) and one longer (2.70 Å) Y(4)-O(1) bond length. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(15), one O(16), one O(4), and one O(5) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. The Co(1)-O(11) bond length is 2.00 Å. The Co(1)-O(12) bond length is 1.99 Å. The Co(1)-O(15) bond length is 2.00 Å. The Co(1)-O(16) bond length is 1.99 Å. The Co(1)-O(4) bond length is 2.08 Å. The Co(1)-O(5) bond length is 2.16 Å. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(13), one O(16), one O(6), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. The Co(2)-O(1) bond length is 1.94 Å. The Co(2)-O(12) bond length is 1.86 Å. The Co(2)-O(13) bond length is 1.90 Å. The Co(2)-O(16) bond length is 1.86 Å. The Co(2)-O(6) bond length is 2.14 Å. The Co(2)-O(9) bond length is 1.89 Å. In the third Co site, Co(3) is bonded to one O(10), one O(13), one O(14), one O(2), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. The Co(3)-O(10) bond length is 1.99 Å. The Co(3)-O(13) bond length is 2.00 Å. The Co(3)-O(14) bond length is 1.99 Å. The Co(3)-O(2) bond length is 2.08 Å. The Co(3)-O(7) bond length is 2.15 Å. The Co(3)-O(9) bond length is 2.00 Å. In the fourth Co site, Co(4) is bonded to one O(10), one O(11), one O(14), one O(15), one O(3), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. The Co(4)-O(10) bond length is 1.86 Å. The Co(4)-O(11) bond length is 1.89 Å. The Co(4)-O(14) bond length is 1.86 Å. The Co(4)-O(15) bond length is 1.89 Å. The Co(4)-O(3) bond length is 1.94 Å. The Co(4)-O(8) bond length is 2.14 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Y(3), two equivalent Y(4), and one Co(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), one Y(2), two equivalent Y(1), and one Co(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(3), one Y(1), two equivalent Y(2), and one Co(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(4), one Y(4), two equivalent Y(3), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Y(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(4), two equivalent Sr(3), one Y(2), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(4), one Y(3), and one Co(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(4), two equivalent Sr(1), one Y(4), and one Co(4) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Y(1), one Y(4), one Co(2), and one Co(3) atom. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(4), one Y(1), one Y(2), one Co(3), and one Co(4) atom to form distorted face-sharing OSr2Y2Co2 octahedra. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Y(2), one Y(3), one Co(1), and one Co(4) atom. In the twelfth O site, O(12) is bonded to one Sr(2), one Sr(3), one Y(3), one Y(4), one Co(1), and one Co(2) atom to form distorted face-sharing OSr2Y2Co2 octahedra. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one Y(1), one Y(4), one Co(2), and one Co(3) atom. In the fourteenth O site, O(14) is bonded to one Sr(1), one Sr(4), one Y(1), one Y(2), one Co(3), and one Co(4) atom to form distorted face-sharing OSr2Y2Co2 octahedra. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Y(2), one Y(3), one Co(1), and one Co(4) atom. In the sixteenth O site, O(16) is bonded to one Sr(2), one Sr(3), one Y(3), one Y(4), one Co(1), and one Co(2) atom to form distorted face-sharing OSr2Y2Co2 octahedra.