The crystal structure described by LaInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(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 36-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent In(1) atoms to form distorted corner-sharing OLa2In2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_LaInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.736
_cell_length_b   5.954
_cell_length_c   8.254
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.894
_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
  La  La0  1  0.016  0.946  0.250  1.0
  La  La1  1  0.516  0.554  0.750  1.0
  La  La2  1  0.484  0.446  0.250  1.0
  La  La3  1  0.984  0.054  0.750  1.0
  In  In4  1  0.500  0.000  0.000  1.0
  In  In5  1  0.000  0.500  0.000  1.0
  In  In6  1  0.000  0.500  0.500  1.0
  In  In7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.615  0.046  0.250  1.0
  O  O9  1  0.115  0.454  0.750  1.0
  O  O10  1  0.885  0.546  0.250  1.0
  O  O11  1  0.385  0.954  0.750  1.0
  O  O12  1  0.196  0.198  0.061  1.0
  O  O13  1  0.696  0.302  0.939  1.0
  O  O14  1  0.304  0.698  0.439  1.0
  O  O15  1  0.804  0.802  0.561  1.0
  O  O16  1  0.804  0.802  0.939  1.0
  O  O17  1  0.304  0.698  0.061  1.0
  O  O18  1  0.696  0.302  0.561  1.0
  O  O19  1  0.196  0.198  0.439  1.0
[/CIF]
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The crystal structure described by LaInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(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 36-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent In(1) atoms to form distorted corner-sharing OLa2In2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_LaInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.736
_cell_length_b   5.954
_cell_length_c   8.254
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.894
_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
  La  La0  1  0.016  0.946  0.250  1.0
  La  La1  1  0.516  0.554  0.750  1.0
  La  La2  1  0.484  0.446  0.250  1.0
  La  La3  1  0.984  0.054  0.750  1.0
  In  In4  1  0.500  0.000  0.000  1.0
  In  In5  1  0.000  0.500  0.000  1.0
  In  In6  1  0.000  0.500  0.500  1.0
  In  In7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.615  0.046  0.250  1.0
  O  O9  1  0.115  0.454  0.750  1.0
  O  O10  1  0.885  0.546  0.250  1.0
  O  O11  1  0.385  0.954  0.750  1.0
  O  O12  1  0.196  0.198  0.061  1.0
  O  O13  1  0.696  0.302  0.939  1.0
  O  O14  1  0.304  0.698  0.439  1.0
  O  O15  1  0.804  0.802  0.561  1.0
  O  O16  1  0.804  0.802  0.939  1.0
  O  O17  1  0.304  0.698  0.061  1.0
  O  O18  1  0.696  0.302  0.561  1.0
  O  O19  1  0.196  0.198  0.439  1.0
[/CIF]
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