The compound described by Sr3Sn2S7 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to four equivalent S(2) and four equivalent S(3) atoms. Sn(1) is bonded to one S(2), one S(3), one S(4), and two equivalent S(1) atoms to form corner-sharing SnS5 trigonal bipyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to two equivalent Sr(1) and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Sn(1) atom to form SSr4Sn square pyramids that share corners with three equivalent S(4)Sr4Sn2 octahedra, corners with two equivalent S(2)Sr4Sn square pyramids, corners with six equivalent S(3)Sr4Sn square pyramids,  an edgeedge with one S(4)Sr4Sn2 octahedra, edges with two equivalent S(3)Sr4Sn square pyramids, edges with three equivalent S(2)Sr4Sn square pyramids, and  a faceface with one S(3)Sr4Sn square pyramid. The corner-sharing octahedral tilt angles range from 6-33°. In the third S site, S(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Sn(1) atom to form SSr4Sn square pyramids that share corners with two equivalent S(4)Sr4Sn2 octahedra, corners with two equivalent S(3)Sr4Sn square pyramids, corners with six equivalent S(2)Sr4Sn square pyramids, edges with two equivalent S(2)Sr4Sn square pyramids, edges with three equivalent S(3)Sr4Sn square pyramids,  a faceface with one S(4)Sr4Sn2 octahedra, and  a faceface with one S(2)Sr4Sn square pyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth S site, S(4) is bonded to four equivalent Sr(1) and two equivalent Sn(1) atoms to form SSr4Sn2 octahedra that share corners with four equivalent S(3)Sr4Sn square pyramids, corners with six equivalent S(2)Sr4Sn square pyramids, edges with two equivalent S(4)Sr4Sn2 octahedra, edges with two equivalent S(2)Sr4Sn square pyramids, and faces with two equivalent S(3)Sr4Sn square pyramids. is represented by the CIF file [CIF]
data_Sr3Sn2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   11.532
_cell_length_c   12.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.715
_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  0.500  0.115  0.151  1.0
  Sr  Sr1  1  0.500  0.885  0.849  1.0
  Sr  Sr2  1  0.500  0.385  0.651  1.0
  Sr  Sr3  1  0.500  0.615  0.349  1.0
  Sr  Sr4  1  0.500  0.000  0.500  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sn  Sn6  1  0.000  0.283  0.396  1.0
  Sn  Sn7  1  0.000  0.717  0.604  1.0
  Sn  Sn8  1  0.000  0.217  0.896  1.0
  Sn  Sn9  1  0.000  0.783  0.104  1.0
  S  S10  1  0.500  0.351  0.299  1.0
  S  S11  1  0.500  0.649  0.701  1.0
  S  S12  1  0.500  0.149  0.799  1.0
  S  S13  1  0.500  0.851  0.201  1.0
  S  S14  1  0.000  0.084  0.324  1.0
  S  S15  1  0.000  0.916  0.676  1.0
  S  S16  1  0.000  0.416  0.824  1.0
  S  S17  1  0.000  0.584  0.176  1.0
  S  S18  1  0.000  0.296  0.069  1.0
  S  S19  1  0.000  0.704  0.931  1.0
  S  S20  1  0.000  0.204  0.569  1.0
  S  S21  1  0.000  0.796  0.431  1.0
  S  S22  1  0.000  0.000  0.000  1.0
  S  S23  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by Sr3Sn2S7 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to four equivalent S(2) and four equivalent S(3) atoms. Sn(1) is bonded to one S(2), one S(3), one S(4), and two equivalent S(1) atoms to form corner-sharing SnS5 trigonal bipyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to two equivalent Sr(1) and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Sn(1) atom to form SSr4Sn square pyramids that share corners with three equivalent S(4)Sr4Sn2 octahedra, corners with two equivalent S(2)Sr4Sn square pyramids, corners with six equivalent S(3)Sr4Sn square pyramids,  an edgeedge with one S(4)Sr4Sn2 octahedra, edges with two equivalent S(3)Sr4Sn square pyramids, edges with three equivalent S(2)Sr4Sn square pyramids, and  a faceface with one S(3)Sr4Sn square pyramid. The corner-sharing octahedral tilt angles range from 6-33°. In the third S site, S(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Sn(1) atom to form SSr4Sn square pyramids that share corners with two equivalent S(4)Sr4Sn2 octahedra, corners with two equivalent S(3)Sr4Sn square pyramids, corners with six equivalent S(2)Sr4Sn square pyramids, edges with two equivalent S(2)Sr4Sn square pyramids, edges with three equivalent S(3)Sr4Sn square pyramids,  a faceface with one S(4)Sr4Sn2 octahedra, and  a faceface with one S(2)Sr4Sn square pyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth S site, S(4) is bonded to four equivalent Sr(1) and two equivalent Sn(1) atoms to form SSr4Sn2 octahedra that share corners with four equivalent S(3)Sr4Sn square pyramids, corners with six equivalent S(2)Sr4Sn square pyramids, edges with two equivalent S(4)Sr4Sn2 octahedra, edges with two equivalent S(2)Sr4Sn square pyramids, and faces with two equivalent S(3)Sr4Sn square pyramids. is represented by the CIF file [CIF]
data_Sr3Sn2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   11.532
_cell_length_c   12.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.715
_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  0.500  0.115  0.151  1.0
  Sr  Sr1  1  0.500  0.885  0.849  1.0
  Sr  Sr2  1  0.500  0.385  0.651  1.0
  Sr  Sr3  1  0.500  0.615  0.349  1.0
  Sr  Sr4  1  0.500  0.000  0.500  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sn  Sn6  1  0.000  0.283  0.396  1.0
  Sn  Sn7  1  0.000  0.717  0.604  1.0
  Sn  Sn8  1  0.000  0.217  0.896  1.0
  Sn  Sn9  1  0.000  0.783  0.104  1.0
  S  S10  1  0.500  0.351  0.299  1.0
  S  S11  1  0.500  0.649  0.701  1.0
  S  S12  1  0.500  0.149  0.799  1.0
  S  S13  1  0.500  0.851  0.201  1.0
  S  S14  1  0.000  0.084  0.324  1.0
  S  S15  1  0.000  0.916  0.676  1.0
  S  S16  1  0.000  0.416  0.824  1.0
  S  S17  1  0.000  0.584  0.176  1.0
  S  S18  1  0.000  0.296  0.069  1.0
  S  S19  1  0.000  0.704  0.931  1.0
  S  S20  1  0.000  0.204  0.569  1.0
  S  S21  1  0.000  0.796  0.431  1.0
  S  S22  1  0.000  0.000  0.000  1.0
  S  S23  1  0.000  0.500  0.500  1.0
[/CIF]
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