The material structure described by Sr3Sn2O7 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to three equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Sn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Sn2 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to four equivalent Sr(2) and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Sr3Sn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.691
_cell_length_b   10.691
_cell_length_c   5.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.493
_symmetry_Int_Tables_number   1
_cell_volume   342.231
_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  0.247  0.247  0.250  1.0
  Sr  Sr1  1  0.753  0.753  0.750  1.0
  Sr  Sr2  1  0.053  0.426  0.250  1.0
  Sr  Sr3  1  0.947  0.574  0.750  1.0
  Sr  Sr4  1  0.574  0.947  0.750  1.0
  Sr  Sr5  1  0.426  0.053  0.250  1.0
  Sn  Sn6  1  0.651  0.847  0.250  1.0
  Sn  Sn7  1  0.349  0.153  0.750  1.0
  Sn  Sn8  1  0.847  0.651  0.250  1.0
  Sn  Sn9  1  0.153  0.349  0.750  1.0
  O  O10  1  0.916  0.084  0.000  1.0
  O  O11  1  0.084  0.916  0.500  1.0
  O  O12  1  0.084  0.916  0.000  1.0
  O  O13  1  0.916  0.084  0.500  1.0
  O  O14  1  0.610  0.390  0.500  1.0
  O  O15  1  0.390  0.610  0.000  1.0
  O  O16  1  0.390  0.610  0.500  1.0
  O  O17  1  0.610  0.390  0.000  1.0
  O  O18  1  0.999  0.393  0.750  1.0
  O  O19  1  0.001  0.607  0.250  1.0
  O  O20  1  0.683  0.683  0.250  1.0
  O  O21  1  0.317  0.317  0.750  1.0
  O  O22  1  0.607  0.001  0.250  1.0
  O  O23  1  0.393  0.999  0.750  1.0
[/CIF]
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The material structure described by Sr3Sn2O7 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to three equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Sn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Sn2 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to four equivalent Sr(2) and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Sr3Sn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.691
_cell_length_b   10.691
_cell_length_c   5.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.493
_symmetry_Int_Tables_number   1
_cell_volume   342.231
_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  0.247  0.247  0.250  1.0
  Sr  Sr1  1  0.753  0.753  0.750  1.0
  Sr  Sr2  1  0.053  0.426  0.250  1.0
  Sr  Sr3  1  0.947  0.574  0.750  1.0
  Sr  Sr4  1  0.574  0.947  0.750  1.0
  Sr  Sr5  1  0.426  0.053  0.250  1.0
  Sn  Sn6  1  0.651  0.847  0.250  1.0
  Sn  Sn7  1  0.349  0.153  0.750  1.0
  Sn  Sn8  1  0.847  0.651  0.250  1.0
  Sn  Sn9  1  0.153  0.349  0.750  1.0
  O  O10  1  0.916  0.084  0.000  1.0
  O  O11  1  0.084  0.916  0.500  1.0
  O  O12  1  0.084  0.916  0.000  1.0
  O  O13  1  0.916  0.084  0.500  1.0
  O  O14  1  0.610  0.390  0.500  1.0
  O  O15  1  0.390  0.610  0.000  1.0
  O  O16  1  0.390  0.610  0.500  1.0
  O  O17  1  0.610  0.390  0.000  1.0
  O  O18  1  0.999  0.393  0.750  1.0
  O  O19  1  0.001  0.607  0.250  1.0
  O  O20  1  0.683  0.683  0.250  1.0
  O  O21  1  0.317  0.317  0.750  1.0
  O  O22  1  0.607  0.001  0.250  1.0
  O  O23  1  0.393  0.999  0.750  1.0
[/CIF]
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