The material structure described by TbCoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Co(1) atoms to form distorted corner-sharing OTb2Co2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tb(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_TbCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.148
_cell_length_b   5.410
_cell_length_c   7.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   205.644
_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
  Tb  Tb0  1  0.517  0.568  0.250  1.0
  Tb  Tb1  1  0.983  0.068  0.250  1.0
  Tb  Tb2  1  0.483  0.432  0.750  1.0
  Tb  Tb3  1  0.017  0.932  0.750  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  0.000  0.500  0.500  1.0
  Co  Co7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.406  0.977  0.250  1.0
  O  O9  1  0.094  0.477  0.250  1.0
  O  O10  1  0.594  0.023  0.750  1.0
  O  O11  1  0.906  0.523  0.750  1.0
  O  O12  1  0.804  0.799  0.048  1.0
  O  O13  1  0.696  0.299  0.452  1.0
  O  O14  1  0.196  0.201  0.548  1.0
  O  O15  1  0.304  0.701  0.952  1.0
  O  O16  1  0.196  0.201  0.952  1.0
  O  O17  1  0.304  0.701  0.548  1.0
  O  O18  1  0.804  0.799  0.452  1.0
  O  O19  1  0.696  0.299  0.048  1.0
[/CIF]
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The material structure described by TbCoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Co(1) atoms to form distorted corner-sharing OTb2Co2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tb(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_TbCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.148
_cell_length_b   5.410
_cell_length_c   7.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   205.644
_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
  Tb  Tb0  1  0.517  0.568  0.250  1.0
  Tb  Tb1  1  0.983  0.068  0.250  1.0
  Tb  Tb2  1  0.483  0.432  0.750  1.0
  Tb  Tb3  1  0.017  0.932  0.750  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Co  Co5  1  0.500  0.000  0.500  1.0
  Co  Co6  1  0.000  0.500  0.500  1.0
  Co  Co7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.406  0.977  0.250  1.0
  O  O9  1  0.094  0.477  0.250  1.0
  O  O10  1  0.594  0.023  0.750  1.0
  O  O11  1  0.906  0.523  0.750  1.0
  O  O12  1  0.804  0.799  0.048  1.0
  O  O13  1  0.696  0.299  0.452  1.0
  O  O14  1  0.196  0.201  0.548  1.0
  O  O15  1  0.304  0.701  0.952  1.0
  O  O16  1  0.196  0.201  0.952  1.0
  O  O17  1  0.304  0.701  0.548  1.0
  O  O18  1  0.804  0.799  0.452  1.0
  O  O19  1  0.696  0.299  0.048  1.0
[/CIF]
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