The material described by TbInO3 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. In(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent In(1) atoms to form corner-sharing OTb2In2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tb(1) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_TbInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   5.898
_cell_length_c   8.205
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.413
_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  0.521  0.935  0.750  1.0
  Tb  Tb1  1  0.979  0.435  0.750  1.0
  Tb  Tb2  1  0.021  0.565  0.250  1.0
  Tb  Tb3  1  0.479  0.065  0.250  1.0
  In  In4  1  0.500  0.500  0.000  1.0
  In  In5  1  0.500  0.500  0.500  1.0
  In  In6  1  0.000  0.000  0.000  1.0
  In  In7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.644  0.430  0.250  1.0
  O  O9  1  0.685  0.188  0.574  1.0
  O  O10  1  0.685  0.188  0.926  1.0
  O  O11  1  0.815  0.688  0.926  1.0
  O  O12  1  0.815  0.688  0.574  1.0
  O  O13  1  0.856  0.930  0.250  1.0
  O  O14  1  0.144  0.070  0.750  1.0
  O  O15  1  0.185  0.312  0.074  1.0
  O  O16  1  0.185  0.312  0.426  1.0
  O  O17  1  0.315  0.812  0.074  1.0
  O  O18  1  0.315  0.812  0.426  1.0
  O  O19  1  0.356  0.570  0.750  1.0
[/CIF]
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The material described by TbInO3 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. In(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent In(1) atoms to form corner-sharing OTb2In2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tb(1) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_TbInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   5.898
_cell_length_c   8.205
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.413
_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  0.521  0.935  0.750  1.0
  Tb  Tb1  1  0.979  0.435  0.750  1.0
  Tb  Tb2  1  0.021  0.565  0.250  1.0
  Tb  Tb3  1  0.479  0.065  0.250  1.0
  In  In4  1  0.500  0.500  0.000  1.0
  In  In5  1  0.500  0.500  0.500  1.0
  In  In6  1  0.000  0.000  0.000  1.0
  In  In7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.644  0.430  0.250  1.0
  O  O9  1  0.685  0.188  0.574  1.0
  O  O10  1  0.685  0.188  0.926  1.0
  O  O11  1  0.815  0.688  0.926  1.0
  O  O12  1  0.815  0.688  0.574  1.0
  O  O13  1  0.856  0.930  0.250  1.0
  O  O14  1  0.144  0.070  0.750  1.0
  O  O15  1  0.185  0.312  0.074  1.0
  O  O16  1  0.185  0.312  0.426  1.0
  O  O17  1  0.315  0.812  0.074  1.0
  O  O18  1  0.315  0.812  0.426  1.0
  O  O19  1  0.356  0.570  0.750  1.0
[/CIF]
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