The material structure described by SrIn2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the second In site, In(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one In(1), and two equivalent In(2) atoms. In the second O site, O(2) is bonded to two equivalent Sr(1) and three equivalent In(1) atoms to form a mixture of edge and corner-sharing OSr2In3 square pyramids. In the third O site, O(3) is bonded to two equivalent Sr(1), one In(2), and two equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing OSr2In3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Sr(1) and three equivalent In(2) atoms to form a mixture of distorted edge and corner-sharing OSr2In3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrIn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.282
_cell_length_b   9.864
_cell_length_c   11.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   373.975
_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
  Sr  Sr0  1  0.750  0.256  0.847  1.0
  Sr  Sr1  1  0.250  0.744  0.153  1.0
  Sr  Sr2  1  0.750  0.756  0.653  1.0
  Sr  Sr3  1  0.250  0.244  0.347  1.0
  In  In4  1  0.750  0.919  0.394  1.0
  In  In5  1  0.250  0.081  0.606  1.0
  In  In6  1  0.750  0.419  0.106  1.0
  In  In7  1  0.250  0.581  0.894  1.0
  In  In8  1  0.750  0.931  0.889  1.0
  In  In9  1  0.250  0.069  0.111  1.0
  In  In10  1  0.750  0.431  0.611  1.0
  In  In11  1  0.250  0.569  0.389  1.0
  O  O12  1  0.750  0.707  0.333  1.0
  O  O13  1  0.250  0.293  0.667  1.0
  O  O14  1  0.750  0.207  0.167  1.0
  O  O15  1  0.250  0.793  0.833  1.0
  O  O16  1  0.750  0.621  0.021  1.0
  O  O17  1  0.250  0.379  0.979  1.0
  O  O18  1  0.750  0.121  0.479  1.0
  O  O19  1  0.250  0.879  0.521  1.0
  O  O20  1  0.750  0.023  0.717  1.0
  O  O21  1  0.250  0.977  0.283  1.0
  O  O22  1  0.750  0.523  0.783  1.0
  O  O23  1  0.250  0.477  0.217  1.0
  O  O24  1  0.750  0.919  0.075  1.0
  O  O25  1  0.250  0.081  0.925  1.0
  O  O26  1  0.750  0.419  0.425  1.0
  O  O27  1  0.250  0.581  0.575  1.0
[/CIF]
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The material structure described by SrIn2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the second In site, In(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one In(1), and two equivalent In(2) atoms. In the second O site, O(2) is bonded to two equivalent Sr(1) and three equivalent In(1) atoms to form a mixture of edge and corner-sharing OSr2In3 square pyramids. In the third O site, O(3) is bonded to two equivalent Sr(1), one In(2), and two equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing OSr2In3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Sr(1) and three equivalent In(2) atoms to form a mixture of distorted edge and corner-sharing OSr2In3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrIn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.282
_cell_length_b   9.864
_cell_length_c   11.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   373.975
_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
  Sr  Sr0  1  0.750  0.256  0.847  1.0
  Sr  Sr1  1  0.250  0.744  0.153  1.0
  Sr  Sr2  1  0.750  0.756  0.653  1.0
  Sr  Sr3  1  0.250  0.244  0.347  1.0
  In  In4  1  0.750  0.919  0.394  1.0
  In  In5  1  0.250  0.081  0.606  1.0
  In  In6  1  0.750  0.419  0.106  1.0
  In  In7  1  0.250  0.581  0.894  1.0
  In  In8  1  0.750  0.931  0.889  1.0
  In  In9  1  0.250  0.069  0.111  1.0
  In  In10  1  0.750  0.431  0.611  1.0
  In  In11  1  0.250  0.569  0.389  1.0
  O  O12  1  0.750  0.707  0.333  1.0
  O  O13  1  0.250  0.293  0.667  1.0
  O  O14  1  0.750  0.207  0.167  1.0
  O  O15  1  0.250  0.793  0.833  1.0
  O  O16  1  0.750  0.621  0.021  1.0
  O  O17  1  0.250  0.379  0.979  1.0
  O  O18  1  0.750  0.121  0.479  1.0
  O  O19  1  0.250  0.879  0.521  1.0
  O  O20  1  0.750  0.023  0.717  1.0
  O  O21  1  0.250  0.977  0.283  1.0
  O  O22  1  0.750  0.523  0.783  1.0
  O  O23  1  0.250  0.477  0.217  1.0
  O  O24  1  0.750  0.919  0.075  1.0
  O  O25  1  0.250  0.081  0.925  1.0
  O  O26  1  0.750  0.419  0.425  1.0
  O  O27  1  0.250  0.581  0.575  1.0
[/CIF]
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