The structure described by YCoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are two 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(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Co(1) atoms to form distorted corner-sharing OY2Co2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.146
_cell_length_b   5.430
_cell_length_c   7.366
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   205.826
_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  0.018  0.931  0.750  1.0
  Y  Y1  1  0.482  0.431  0.750  1.0
  Y  Y2  1  0.518  0.569  0.250  1.0
  Y  Y3  1  0.982  0.069  0.250  1.0
  Co  Co4  1  0.500  0.000  1.000  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  1.000  0.500  1.000  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.806  0.800  0.049  1.0
  O  O9  1  0.306  0.700  0.549  1.0
  O  O10  1  0.694  0.300  0.451  1.0
  O  O11  1  0.194  0.200  0.951  1.0
  O  O12  1  0.306  0.700  0.951  1.0
  O  O13  1  0.806  0.800  0.451  1.0
  O  O14  1  0.194  0.200  0.549  1.0
  O  O15  1  0.694  0.300  0.049  1.0
  O  O16  1  0.598  0.028  0.750  1.0
  O  O17  1  0.098  0.472  0.250  1.0
  O  O18  1  0.402  0.972  0.250  1.0
  O  O19  1  0.902  0.528  0.750  1.0
[/CIF]
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The structure described by YCoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are two 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(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Co(1) atoms to form distorted corner-sharing OY2Co2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.146
_cell_length_b   5.430
_cell_length_c   7.366
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   205.826
_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  0.018  0.931  0.750  1.0
  Y  Y1  1  0.482  0.431  0.750  1.0
  Y  Y2  1  0.518  0.569  0.250  1.0
  Y  Y3  1  0.982  0.069  0.250  1.0
  Co  Co4  1  0.500  0.000  1.000  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  1.000  0.500  1.000  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.806  0.800  0.049  1.0
  O  O9  1  0.306  0.700  0.549  1.0
  O  O10  1  0.694  0.300  0.451  1.0
  O  O11  1  0.194  0.200  0.951  1.0
  O  O12  1  0.306  0.700  0.951  1.0
  O  O13  1  0.806  0.800  0.451  1.0
  O  O14  1  0.194  0.200  0.549  1.0
  O  O15  1  0.694  0.300  0.049  1.0
  O  O16  1  0.598  0.028  0.750  1.0
  O  O17  1  0.098  0.472  0.250  1.0
  O  O18  1  0.402  0.972  0.250  1.0
  O  O19  1  0.902  0.528  0.750  1.0
[/CIF]
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