The compound described by Sr2SnO4 is (La,Ba)CuO4-like structured and crystallizes in the tetragonal P4_2/ncm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to five 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 corner and edge-sharing OSr4Sn2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.777
_cell_length_b   5.777
_cell_length_c   12.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.386
_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  0.761  0.261  0.397  1.0
  Sr  Sr1  1  0.261  0.239  0.603  1.0
  Sr  Sr2  1  0.739  0.761  0.603  1.0
  Sr  Sr3  1  0.239  0.739  0.397  1.0
  Sr  Sr4  1  0.739  0.239  0.103  1.0
  Sr  Sr5  1  0.239  0.261  0.897  1.0
  Sr  Sr6  1  0.761  0.739  0.897  1.0
  Sr  Sr7  1  0.261  0.761  0.103  1.0
  Sn  Sn8  1  0.750  0.250  0.750  1.0
  Sn  Sn9  1  0.250  0.250  0.250  1.0
  Sn  Sn10  1  0.750  0.750  0.250  1.0
  Sn  Sn11  1  0.250  0.750  0.750  1.0
  O  O12  1  0.714  0.214  0.587  1.0
  O  O13  1  0.214  0.286  0.413  1.0
  O  O14  1  0.786  0.714  0.413  1.0
  O  O15  1  0.286  0.786  0.587  1.0
  O  O16  1  0.786  0.286  0.913  1.0
  O  O17  1  0.286  0.214  0.087  1.0
  O  O18  1  0.714  0.786  0.087  1.0
  O  O19  1  0.214  0.714  0.913  1.0
  O  O20  1  0.000  0.000  0.250  1.0
  O  O21  1  0.500  0.500  0.750  1.0
  O  O22  1  0.500  0.500  0.250  1.0
  O  O23  1  0.000  0.000  0.750  1.0
  O  O24  1  0.500  0.000  0.775  1.0
  O  O25  1  0.000  0.500  0.225  1.0
  O  O26  1  0.000  0.500  0.725  1.0
  O  O27  1  0.500  0.000  0.275  1.0
[/CIF]
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The compound described by Sr2SnO4 is (La,Ba)CuO4-like structured and crystallizes in the tetragonal P4_2/ncm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to five 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 corner and edge-sharing OSr4Sn2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.777
_cell_length_b   5.777
_cell_length_c   12.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.386
_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  0.761  0.261  0.397  1.0
  Sr  Sr1  1  0.261  0.239  0.603  1.0
  Sr  Sr2  1  0.739  0.761  0.603  1.0
  Sr  Sr3  1  0.239  0.739  0.397  1.0
  Sr  Sr4  1  0.739  0.239  0.103  1.0
  Sr  Sr5  1  0.239  0.261  0.897  1.0
  Sr  Sr6  1  0.761  0.739  0.897  1.0
  Sr  Sr7  1  0.261  0.761  0.103  1.0
  Sn  Sn8  1  0.750  0.250  0.750  1.0
  Sn  Sn9  1  0.250  0.250  0.250  1.0
  Sn  Sn10  1  0.750  0.750  0.250  1.0
  Sn  Sn11  1  0.250  0.750  0.750  1.0
  O  O12  1  0.714  0.214  0.587  1.0
  O  O13  1  0.214  0.286  0.413  1.0
  O  O14  1  0.786  0.714  0.413  1.0
  O  O15  1  0.286  0.786  0.587  1.0
  O  O16  1  0.786  0.286  0.913  1.0
  O  O17  1  0.286  0.214  0.087  1.0
  O  O18  1  0.714  0.786  0.087  1.0
  O  O19  1  0.214  0.714  0.913  1.0
  O  O20  1  0.000  0.000  0.250  1.0
  O  O21  1  0.500  0.500  0.750  1.0
  O  O22  1  0.500  0.500  0.250  1.0
  O  O23  1  0.000  0.000  0.750  1.0
  O  O24  1  0.500  0.000  0.775  1.0
  O  O25  1  0.000  0.500  0.225  1.0
  O  O26  1  0.000  0.500  0.725  1.0
  O  O27  1  0.500  0.000  0.275  1.0
[/CIF]
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