The compound described by ErInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Er(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 45-49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Er(1) and two equivalent In(1) atoms to form distorted corner-sharing OEr2In2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Er(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_ErInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.521
_cell_length_b   5.840
_cell_length_c   8.177
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.669
_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
  Er  Er0  1  0.018  0.937  0.750  1.0
  Er  Er1  1  0.482  0.437  0.750  1.0
  Er  Er2  1  0.518  0.563  0.250  1.0
  Er  Er3  1  0.982  0.063  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  0.148  0.423  0.250  1.0
  O  O9  1  0.180  0.183  0.575  1.0
  O  O10  1  0.180  0.183  0.925  1.0
  O  O11  1  0.320  0.683  0.575  1.0
  O  O12  1  0.320  0.683  0.925  1.0
  O  O13  1  0.352  0.923  0.250  1.0
  O  O14  1  0.648  0.077  0.750  1.0
  O  O15  1  0.680  0.317  0.075  1.0
  O  O16  1  0.680  0.317  0.425  1.0
  O  O17  1  0.820  0.817  0.075  1.0
  O  O18  1  0.820  0.817  0.425  1.0
  O  O19  1  0.852  0.577  0.750  1.0
[/CIF]
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The compound described by ErInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Er(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 45-49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Er(1) and two equivalent In(1) atoms to form distorted corner-sharing OEr2In2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Er(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_ErInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.521
_cell_length_b   5.840
_cell_length_c   8.177
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.669
_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
  Er  Er0  1  0.018  0.937  0.750  1.0
  Er  Er1  1  0.482  0.437  0.750  1.0
  Er  Er2  1  0.518  0.563  0.250  1.0
  Er  Er3  1  0.982  0.063  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  0.148  0.423  0.250  1.0
  O  O9  1  0.180  0.183  0.575  1.0
  O  O10  1  0.180  0.183  0.925  1.0
  O  O11  1  0.320  0.683  0.575  1.0
  O  O12  1  0.320  0.683  0.925  1.0
  O  O13  1  0.352  0.923  0.250  1.0
  O  O14  1  0.648  0.077  0.750  1.0
  O  O15  1  0.680  0.317  0.075  1.0
  O  O16  1  0.680  0.317  0.425  1.0
  O  O17  1  0.820  0.817  0.075  1.0
  O  O18  1  0.820  0.817  0.425  1.0
  O  O19  1  0.852  0.577  0.750  1.0
[/CIF]
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