The crystal structure described by DyInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Dy(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 43-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent In(1) atoms to form corner-sharing ODy2In2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Dy(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_DyInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   5.867
_cell_length_c   8.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.356
_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
  Dy  Dy0  1  0.021  0.935  0.750  1.0
  Dy  Dy1  1  0.479  0.435  0.750  1.0
  Dy  Dy2  1  0.521  0.565  0.250  1.0
  Dy  Dy3  1  0.979  0.065  0.250  1.0
  In  In4  1  0.000  0.500  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  In  In6  1  0.500  0.000  0.000  1.0
  In  In7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.146  0.428  0.250  1.0
  O  O9  1  0.183  0.187  0.574  1.0
  O  O10  1  0.183  0.187  0.926  1.0
  O  O11  1  0.317  0.687  0.574  1.0
  O  O12  1  0.317  0.687  0.926  1.0
  O  O13  1  0.354  0.928  0.250  1.0
  O  O14  1  0.646  0.072  0.750  1.0
  O  O15  1  0.683  0.313  0.074  1.0
  O  O16  1  0.683  0.313  0.426  1.0
  O  O17  1  0.817  0.813  0.074  1.0
  O  O18  1  0.817  0.813  0.426  1.0
  O  O19  1  0.854  0.572  0.750  1.0
[/CIF]
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The crystal structure described by DyInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Dy(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 43-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent In(1) atoms to form corner-sharing ODy2In2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Dy(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_DyInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   5.867
_cell_length_c   8.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.356
_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
  Dy  Dy0  1  0.021  0.935  0.750  1.0
  Dy  Dy1  1  0.479  0.435  0.750  1.0
  Dy  Dy2  1  0.521  0.565  0.250  1.0
  Dy  Dy3  1  0.979  0.065  0.250  1.0
  In  In4  1  0.000  0.500  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  In  In6  1  0.500  0.000  0.000  1.0
  In  In7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.146  0.428  0.250  1.0
  O  O9  1  0.183  0.187  0.574  1.0
  O  O10  1  0.183  0.187  0.926  1.0
  O  O11  1  0.317  0.687  0.574  1.0
  O  O12  1  0.317  0.687  0.926  1.0
  O  O13  1  0.354  0.928  0.250  1.0
  O  O14  1  0.646  0.072  0.750  1.0
  O  O15  1  0.683  0.313  0.074  1.0
  O  O16  1  0.683  0.313  0.426  1.0
  O  O17  1  0.817  0.813  0.074  1.0
  O  O18  1  0.817  0.813  0.426  1.0
  O  O19  1  0.854  0.572  0.750  1.0
[/CIF]
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