The compound described by 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. is represented by the CIF card [CIF]
data_YCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.631
_cell_length_b   3.631
_cell_length_c   11.220
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.097
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Y  Y0  1  0.000  0.000  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.667  0.333  0.750  1.0
  Co  Co3  1  0.333  0.667  0.250  1.0
  O  O4  1  0.333  0.667  0.416  1.0
  O  O5  1  0.667  0.333  0.916  1.0
  O  O6  1  0.667  0.333  0.584  1.0
  O  O7  1  0.333  0.667  0.084  1.0
  O  O8  1  0.000  0.000  0.250  1.0
  O  O9  1  0.000  0.000  0.750  1.0
[/CIF]
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The compound described by 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. is represented by the CIF card [CIF]
data_YCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.631
_cell_length_b   3.631
_cell_length_c   11.220
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.097
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Y  Y0  1  0.000  0.000  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.667  0.333  0.750  1.0
  Co  Co3  1  0.333  0.667  0.250  1.0
  O  O4  1  0.333  0.667  0.416  1.0
  O  O5  1  0.667  0.333  0.916  1.0
  O  O6  1  0.667  0.333  0.584  1.0
  O  O7  1  0.333  0.667  0.084  1.0
  O  O8  1  0.000  0.000  0.250  1.0
  O  O9  1  0.000  0.000  0.750  1.0
[/CIF]
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