The material structure described by GdInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Gd(1) and two equivalent In(1) atoms. In the second O site, O(2) is bonded to two equivalent Gd(1) and two equivalent In(1) atoms to form distorted corner-sharing OGd2In2 trigonal pyramids. is represented by the CIF file [CIF]
data_GdInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.603
_cell_length_b   5.933
_cell_length_c   8.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.140
_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
  Gd  Gd0  1  0.020  0.437  0.250  1.0
  Gd  Gd1  1  0.980  0.563  0.750  1.0
  Gd  Gd2  1  0.520  0.063  0.750  1.0
  Gd  Gd3  1  0.480  0.937  0.250  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  In  In5  1  0.500  0.500  0.000  1.0
  In  In6  1  0.000  0.000  0.500  1.0
  In  In7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.314  0.190  0.071  1.0
  O  O9  1  0.686  0.810  0.929  1.0
  O  O10  1  0.814  0.310  0.929  1.0
  O  O11  1  0.686  0.810  0.571  1.0
  O  O12  1  0.186  0.690  0.071  1.0
  O  O13  1  0.314  0.190  0.429  1.0
  O  O14  1  0.186  0.690  0.429  1.0
  O  O15  1  0.814  0.310  0.571  1.0
  O  O16  1  0.639  0.566  0.250  1.0
  O  O17  1  0.361  0.434  0.750  1.0
  O  O18  1  0.139  0.934  0.750  1.0
  O  O19  1  0.861  0.066  0.250  1.0
[/CIF]
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The material structure described by GdInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Gd(1) and two equivalent In(1) atoms. In the second O site, O(2) is bonded to two equivalent Gd(1) and two equivalent In(1) atoms to form distorted corner-sharing OGd2In2 trigonal pyramids. is represented by the CIF file [CIF]
data_GdInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.603
_cell_length_b   5.933
_cell_length_c   8.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.140
_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
  Gd  Gd0  1  0.020  0.437  0.250  1.0
  Gd  Gd1  1  0.980  0.563  0.750  1.0
  Gd  Gd2  1  0.520  0.063  0.750  1.0
  Gd  Gd3  1  0.480  0.937  0.250  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  In  In5  1  0.500  0.500  0.000  1.0
  In  In6  1  0.000  0.000  0.500  1.0
  In  In7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.314  0.190  0.071  1.0
  O  O9  1  0.686  0.810  0.929  1.0
  O  O10  1  0.814  0.310  0.929  1.0
  O  O11  1  0.686  0.810  0.571  1.0
  O  O12  1  0.186  0.690  0.071  1.0
  O  O13  1  0.314  0.190  0.429  1.0
  O  O14  1  0.186  0.690  0.429  1.0
  O  O15  1  0.814  0.310  0.571  1.0
  O  O16  1  0.639  0.566  0.250  1.0
  O  O17  1  0.361  0.434  0.750  1.0
  O  O18  1  0.139  0.934  0.750  1.0
  O  O19  1  0.861  0.066  0.250  1.0
[/CIF]
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