YCoO3 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Co(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form corner-sharing CoO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded to two equivalent Y(1) and three equivalent Co(1) atoms to form distorted OY2Co3 trigonal bipyramids that share corners with six equivalent O(1)Y3Co tetrahedra, corners with eight equivalent O(2)Y2Co3 trigonal bipyramids, and edges with six equivalent O(1)Y3Co tetrahedra. In the second O site, O(1) is bonded to three equivalent Y(1) and one Co(1) atom to form OY3Co tetrahedra that share corners with ten equivalent O(1)Y3Co tetrahedra, corners with three equivalent O(2)Y2Co3 trigonal bipyramids, edges with three equivalent O(1)Y3Co tetrahedra, and edges with three equivalent O(2)Y2Co3 trigonal bipyramids.
YCoO3 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Both Y(1)-O(2) bond lengths are 2.80 Å. All Y(1)-O(1) bond lengths are 2.30 Å. Co(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form corner-sharing CoO5 trigonal bipyramids. Both Co(1)-O(1) bond lengths are 1.86 Å. All Co(1)-O(2) bond lengths are 2.10 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to two equivalent Y(1) and three equivalent Co(1) atoms to form distorted OY2Co3 trigonal bipyramids that share corners with six equivalent O(1)Y3Co tetrahedra, corners with eight equivalent O(2)Y2Co3 trigonal bipyramids, and edges with six equivalent O(1)Y3Co tetrahedra. In the second O site, O(1) is bonded to three equivalent Y(1) and one Co(1) atom to form OY3Co tetrahedra that share corners with ten equivalent O(1)Y3Co tetrahedra, corners with three equivalent O(2)Y2Co3 trigonal bipyramids, edges with three equivalent O(1)Y3Co tetrahedra, and edges with three equivalent O(2)Y2Co3 trigonal bipyramids.