The structure described by YCoO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to two equivalent Y(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OY2Co2 trigonal pyramids. is represented by the CIF file [CIF]
data_YCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   5.746
_cell_length_c   7.489
_cell_angle_alpha   90.644
_cell_angle_beta   89.991
_cell_angle_gamma   90.100
_symmetry_Int_Tables_number   1
_cell_volume   225.360
_cell_formula_units_Z   4
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  0.022  0.917  0.747  1.0
  Y  Y1  1  0.478  0.416  0.747  1.0
  Y  Y2  1  0.522  0.584  0.253  1.0
  Y  Y3  1  0.978  0.083  0.253  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  1.000  0.500  0.500  1.0
  Co  Co6  1  0.500  0.000  0.000  1.0
  Co  Co7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.807  0.814  0.053  1.0
  O  O9  1  0.306  0.685  0.948  1.0
  O  O10  1  0.299  0.680  0.555  1.0
  O  O11  1  0.609  0.031  0.747  1.0
  O  O12  1  0.799  0.820  0.446  1.0
  O  O13  1  0.109  0.469  0.253  1.0
  O  O14  1  0.201  0.180  0.554  1.0
  O  O15  1  0.391  0.969  0.253  1.0
  O  O16  1  0.701  0.320  0.445  1.0
  O  O17  1  0.694  0.315  0.052  1.0
  O  O18  1  0.891  0.531  0.747  1.0
  O  O19  1  0.193  0.186  0.947  1.0
[/CIF]
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The structure described by YCoO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to two equivalent Y(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OY2Co2 trigonal pyramids. is represented by the CIF file [CIF]
data_YCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   5.746
_cell_length_c   7.489
_cell_angle_alpha   90.644
_cell_angle_beta   89.991
_cell_angle_gamma   90.100
_symmetry_Int_Tables_number   1
_cell_volume   225.360
_cell_formula_units_Z   4
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  0.022  0.917  0.747  1.0
  Y  Y1  1  0.478  0.416  0.747  1.0
  Y  Y2  1  0.522  0.584  0.253  1.0
  Y  Y3  1  0.978  0.083  0.253  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  1.000  0.500  0.500  1.0
  Co  Co6  1  0.500  0.000  0.000  1.0
  Co  Co7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.807  0.814  0.053  1.0
  O  O9  1  0.306  0.685  0.948  1.0
  O  O10  1  0.299  0.680  0.555  1.0
  O  O11  1  0.609  0.031  0.747  1.0
  O  O12  1  0.799  0.820  0.446  1.0
  O  O13  1  0.109  0.469  0.253  1.0
  O  O14  1  0.201  0.180  0.554  1.0
  O  O15  1  0.391  0.969  0.253  1.0
  O  O16  1  0.701  0.320  0.445  1.0
  O  O17  1  0.694  0.315  0.052  1.0
  O  O18  1  0.891  0.531  0.747  1.0
  O  O19  1  0.193  0.186  0.947  1.0
[/CIF]
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