The structure described by Ge(Ga)S4 crystallizes in the orthorhombic Fdd2 space group. Ga(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form GaS4 tetrahedra that share  a cornercorner with one Ga(1)S4 tetrahedra and corners with three equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to one S(1), one S(3), one S(4), and one S(5) atom to form GeS4 tetrahedra that share  a cornercorner with one Ge(1)S4 tetrahedra and corners with three equivalent Ga(1)S4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Ga(1) atoms. In the third S site, S(3) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the fourth S site, S(4) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. In the fifth S site, S(5) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaGeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.646
_cell_length_b   12.613
_cell_length_c   11.403
_cell_angle_alpha   63.315
_cell_angle_beta   63.013
_cell_angle_gamma   53.672
_symmetry_Int_Tables_number   1
_cell_volume   1263.897
_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
  Ga  Ga0  1  0.907  0.724  0.311  1.0
  Ga  Ga1  1  0.724  0.907  0.058  1.0
  Ga  Ga2  1  0.192  0.939  0.526  1.0
  Ga  Ga3  1  0.939  0.192  0.343  1.0
  Ge  Ge4  1  0.027  0.843  0.438  1.0
  Ge  Ge5  1  0.843  0.027  0.691  1.0
  Ge  Ge6  1  0.812  0.559  0.223  1.0
  Ge  Ge7  1  0.559  0.812  0.407  1.0
  S  S8  1  0.082  0.669  0.378  1.0
  S  S9  1  0.669  0.082  0.871  1.0
  S  S10  1  0.872  0.379  0.168  1.0
  S  S11  1  0.379  0.872  0.581  1.0
  S  S12  1  0.890  0.890  0.110  1.0
  S  S13  1  0.863  0.863  0.637  1.0
  S  S14  1  0.613  0.613  0.387  1.0
  S  S15  1  0.140  0.140  0.360  1.0
  S  S16  1  0.710  0.788  0.481  1.0
  S  S17  1  0.966  0.032  0.270  1.0
  S  S18  1  0.788  0.710  0.021  1.0
  S  S19  1  0.032  0.966  0.732  1.0
  S  S20  1  0.980  0.518  0.284  1.0
  S  S21  1  0.229  0.769  0.462  1.0
  S  S22  1  0.518  0.980  0.218  1.0
  S  S23  1  0.769  0.229  0.540  1.0
[/CIF]
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The structure described by Ge(Ga)S4 crystallizes in the orthorhombic Fdd2 space group. Ga(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form GaS4 tetrahedra that share  a cornercorner with one Ga(1)S4 tetrahedra and corners with three equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to one S(1), one S(3), one S(4), and one S(5) atom to form GeS4 tetrahedra that share  a cornercorner with one Ge(1)S4 tetrahedra and corners with three equivalent Ga(1)S4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Ga(1) atoms. In the third S site, S(3) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the fourth S site, S(4) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. In the fifth S site, S(5) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaGeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.646
_cell_length_b   12.613
_cell_length_c   11.403
_cell_angle_alpha   63.315
_cell_angle_beta   63.013
_cell_angle_gamma   53.672
_symmetry_Int_Tables_number   1
_cell_volume   1263.897
_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
  Ga  Ga0  1  0.907  0.724  0.311  1.0
  Ga  Ga1  1  0.724  0.907  0.058  1.0
  Ga  Ga2  1  0.192  0.939  0.526  1.0
  Ga  Ga3  1  0.939  0.192  0.343  1.0
  Ge  Ge4  1  0.027  0.843  0.438  1.0
  Ge  Ge5  1  0.843  0.027  0.691  1.0
  Ge  Ge6  1  0.812  0.559  0.223  1.0
  Ge  Ge7  1  0.559  0.812  0.407  1.0
  S  S8  1  0.082  0.669  0.378  1.0
  S  S9  1  0.669  0.082  0.871  1.0
  S  S10  1  0.872  0.379  0.168  1.0
  S  S11  1  0.379  0.872  0.581  1.0
  S  S12  1  0.890  0.890  0.110  1.0
  S  S13  1  0.863  0.863  0.637  1.0
  S  S14  1  0.613  0.613  0.387  1.0
  S  S15  1  0.140  0.140  0.360  1.0
  S  S16  1  0.710  0.788  0.481  1.0
  S  S17  1  0.966  0.032  0.270  1.0
  S  S18  1  0.788  0.710  0.021  1.0
  S  S19  1  0.032  0.966  0.732  1.0
  S  S20  1  0.980  0.518  0.284  1.0
  S  S21  1  0.229  0.769  0.462  1.0
  S  S22  1  0.518  0.980  0.218  1.0
  S  S23  1  0.769  0.229  0.540  1.0
[/CIF]
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