YCoO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Co(2), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(2), one Co(1), and one Co(2) atom to form distorted corner-sharing OY2Co2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Y(1), one Y(2), one Co(3), and one Co(4) atom to form distorted corner-sharing OY2Co2 trigonal pyramids.
YCoO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. The Y(1)-O(2) bond length is 2.50 Å. The Y(1)-O(3) bond length is 2.51 Å. The Y(1)-O(5) bond length is 2.27 Å. The Y(1)-O(6) bond length is 2.29 Å. There is one shorter (2.34 Å) and one longer (2.64 Å) Y(1)-O(1) bond length. There is one shorter (2.27 Å) and one longer (2.60 Å) Y(1)-O(4) bond length. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Y(2)-O(1) bond length is 2.50 Å. The Y(2)-O(4) bond length is 2.46 Å. The Y(2)-O(5) bond length is 2.32 Å. The Y(2)-O(6) bond length is 2.23 Å. There is one shorter (2.27 Å) and one longer (2.64 Å) Y(2)-O(2) bond length. There is one shorter (2.34 Å) and one longer (2.67 Å) Y(2)-O(3) bond length. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. Both Co(1)-O(1) bond lengths are 1.95 Å. Both Co(1)-O(3) bond lengths are 2.11 Å. Both Co(1)-O(5) bond lengths are 2.02 Å. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. Both Co(2)-O(2) bond lengths are 2.08 Å. Both Co(2)-O(4) bond lengths are 2.04 Å. Both Co(2)-O(5) bond lengths are 1.93 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. Both Co(3)-O(1) bond lengths are 2.14 Å. Both Co(3)-O(3) bond lengths are 1.93 Å. Both Co(3)-O(6) bond lengths are 2.02 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. Both Co(4)-O(2) bond lengths are 1.99 Å. Both Co(4)-O(4) bond lengths are 2.08 Å. Both Co(4)-O(6) bond lengths are 1.98 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Co(2), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(2), one Co(1), and one Co(2) atom to form distorted corner-sharing OY2Co2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Y(1), one Y(2), one Co(3), and one Co(4) atom to form distorted corner-sharing OY2Co2 trigonal pyramids.