The material structure described by Sr2GeS4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(3), and four equivalent S(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Ge(1) atom to form a mixture of corner, face, and edge-sharing SSr4Ge square pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Sr(2), three equivalent Sr(1), and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.741
_cell_length_b   6.733
_cell_length_c   8.250
_cell_angle_alpha   90.000
_cell_angle_beta   108.084
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   355.935
_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  0.765  0.250  0.567  1.0
  Sr  Sr1  1  0.235  0.750  0.433  1.0
  Sr  Sr2  1  0.722  0.250  0.053  1.0
  Sr  Sr3  1  0.278  0.750  0.947  1.0
  Ge  Ge4  1  0.272  0.250  0.199  1.0
  Ge  Ge5  1  0.728  0.750  0.801  1.0
  S  S6  1  0.508  0.497  0.741  1.0
  S  S7  1  0.492  0.997  0.259  1.0
  S  S8  1  0.492  0.503  0.259  1.0
  S  S9  1  0.508  0.003  0.741  1.0
  S  S10  1  0.081  0.250  0.374  1.0
  S  S11  1  0.919  0.750  0.626  1.0
  S  S12  1  0.902  0.750  0.075  1.0
  S  S13  1  0.098  0.250  0.925  1.0
[/CIF]
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The material structure described by Sr2GeS4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(3), and four equivalent S(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Ge(1) atom to form a mixture of corner, face, and edge-sharing SSr4Ge square pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Sr(2), three equivalent Sr(1), and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.741
_cell_length_b   6.733
_cell_length_c   8.250
_cell_angle_alpha   90.000
_cell_angle_beta   108.084
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   355.935
_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  0.765  0.250  0.567  1.0
  Sr  Sr1  1  0.235  0.750  0.433  1.0
  Sr  Sr2  1  0.722  0.250  0.053  1.0
  Sr  Sr3  1  0.278  0.750  0.947  1.0
  Ge  Ge4  1  0.272  0.250  0.199  1.0
  Ge  Ge5  1  0.728  0.750  0.801  1.0
  S  S6  1  0.508  0.497  0.741  1.0
  S  S7  1  0.492  0.997  0.259  1.0
  S  S8  1  0.492  0.503  0.259  1.0
  S  S9  1  0.508  0.003  0.741  1.0
  S  S10  1  0.081  0.250  0.374  1.0
  S  S11  1  0.919  0.750  0.626  1.0
  S  S12  1  0.902  0.750  0.075  1.0
  S  S13  1  0.098  0.250  0.925  1.0
[/CIF]
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