The material structure described by Sr2In2O5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form InO6 octahedra that share corners with four equivalent In(1)O6 octahedra and corners with two equivalent In(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the second In site, In(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form InO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent In(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent In(2) atoms to form distorted OSr2In2 tetrahedra that share corners with eight equivalent O(3)Sr4In2 octahedra and corners with two equivalent O(1)Sr2In2 tetrahedra. The corner-sharing octahedral tilt angles range from 19-84°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one In(1), and one In(2) atom. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent In(1) atoms to form distorted OSr4In2 octahedra that share corners with two equivalent O(3)Sr4In2 octahedra, corners with four equivalent O(1)Sr2In2 tetrahedra, edges with two equivalent O(3)Sr4In2 octahedra, and faces with four equivalent O(3)Sr4In2 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF file [CIF]
data_Sr2In2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.057
_cell_length_b   9.057
_cell_length_c   9.057
_cell_angle_alpha   141.818
_cell_angle_beta   140.312
_cell_angle_gamma   56.249
_symmetry_Int_Tables_number   1
_cell_volume   291.027
_cell_formula_units_Z   2
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  0.133  0.624  0.542  1.0
  Sr  Sr1  1  0.867  0.409  0.491  1.0
  Sr  Sr2  1  0.582  0.124  0.491  1.0
  Sr  Sr3  1  0.418  0.909  0.542  1.0
  In  In4  1  0.000  0.002  0.002  1.0
  In  In5  1  0.500  0.502  0.002  1.0
  In  In6  1  0.186  0.292  0.978  1.0
  In  In7  1  0.814  0.792  0.106  1.0
  O  O8  1  0.867  0.149  0.517  1.0
  O  O9  1  0.133  0.649  0.282  1.0
  O  O10  1  0.443  0.315  0.035  1.0
  O  O11  1  0.557  0.593  0.872  1.0
  O  O12  1  0.779  0.815  0.872  1.0
  O  O13  1  0.221  0.093  0.035  1.0
  O  O14  1  0.774  0.273  0.012  1.0
  O  O15  1  0.226  0.238  0.499  1.0
  O  O16  1  0.239  0.738  0.012  1.0
  O  O17  1  0.761  0.773  0.499  1.0
[/CIF]
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The material structure described by Sr2In2O5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form InO6 octahedra that share corners with four equivalent In(1)O6 octahedra and corners with two equivalent In(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the second In site, In(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form InO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent In(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent In(2) atoms to form distorted OSr2In2 tetrahedra that share corners with eight equivalent O(3)Sr4In2 octahedra and corners with two equivalent O(1)Sr2In2 tetrahedra. The corner-sharing octahedral tilt angles range from 19-84°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one In(1), and one In(2) atom. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent In(1) atoms to form distorted OSr4In2 octahedra that share corners with two equivalent O(3)Sr4In2 octahedra, corners with four equivalent O(1)Sr2In2 tetrahedra, edges with two equivalent O(3)Sr4In2 octahedra, and faces with four equivalent O(3)Sr4In2 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF file [CIF]
data_Sr2In2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.057
_cell_length_b   9.057
_cell_length_c   9.057
_cell_angle_alpha   141.818
_cell_angle_beta   140.312
_cell_angle_gamma   56.249
_symmetry_Int_Tables_number   1
_cell_volume   291.027
_cell_formula_units_Z   2
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  0.133  0.624  0.542  1.0
  Sr  Sr1  1  0.867  0.409  0.491  1.0
  Sr  Sr2  1  0.582  0.124  0.491  1.0
  Sr  Sr3  1  0.418  0.909  0.542  1.0
  In  In4  1  0.000  0.002  0.002  1.0
  In  In5  1  0.500  0.502  0.002  1.0
  In  In6  1  0.186  0.292  0.978  1.0
  In  In7  1  0.814  0.792  0.106  1.0
  O  O8  1  0.867  0.149  0.517  1.0
  O  O9  1  0.133  0.649  0.282  1.0
  O  O10  1  0.443  0.315  0.035  1.0
  O  O11  1  0.557  0.593  0.872  1.0
  O  O12  1  0.779  0.815  0.872  1.0
  O  O13  1  0.221  0.093  0.035  1.0
  O  O14  1  0.774  0.273  0.012  1.0
  O  O15  1  0.226  0.238  0.499  1.0
  O  O16  1  0.239  0.738  0.012  1.0
  O  O17  1  0.761  0.773  0.499  1.0
[/CIF]
.