The crystal structure described by Sr2SnO4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Sn(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Sn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sr2SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.814
_cell_length_c   6.905
_cell_angle_alpha   90.000
_cell_angle_beta   114.488
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.102
_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  0.147  0.488  0.294  1.0
  Sr  Sr1  1  0.853  0.512  0.706  1.0
  Sr  Sr2  1  0.353  0.988  0.706  1.0
  Sr  Sr3  1  0.647  0.012  0.294  1.0
  Sn  Sn4  1  0.500  0.500  0.000  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.337  0.547  0.675  1.0
  O  O7  1  0.663  0.453  0.325  1.0
  O  O8  1  0.163  0.047  0.325  1.0
  O  O9  1  0.837  0.953  0.675  1.0
  O  O10  1  0.233  0.250  0.966  1.0
  O  O11  1  0.267  0.750  0.034  1.0
  O  O12  1  0.733  0.250  0.966  1.0
  O  O13  1  0.767  0.750  0.034  1.0
[/CIF]
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The crystal structure described by Sr2SnO4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Sn(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Sn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sr2SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.814
_cell_length_c   6.905
_cell_angle_alpha   90.000
_cell_angle_beta   114.488
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.102
_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  0.147  0.488  0.294  1.0
  Sr  Sr1  1  0.853  0.512  0.706  1.0
  Sr  Sr2  1  0.353  0.988  0.706  1.0
  Sr  Sr3  1  0.647  0.012  0.294  1.0
  Sn  Sn4  1  0.500  0.500  0.000  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.337  0.547  0.675  1.0
  O  O7  1  0.663  0.453  0.325  1.0
  O  O8  1  0.163  0.047  0.325  1.0
  O  O9  1  0.837  0.953  0.675  1.0
  O  O10  1  0.233  0.250  0.966  1.0
  O  O11  1  0.267  0.750  0.034  1.0
  O  O12  1  0.733  0.250  0.966  1.0
  O  O13  1  0.767  0.750  0.034  1.0
[/CIF]
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