The structure described by Ge(Ga)S4 crystallizes in the orthorhombic I2_12_12_1 space group. Ga(1) is bonded to one S(1), one S(3), one S(5), and one S(6) atom to form GaS4 tetrahedra that share corners with two equivalent Ga(1)S4 tetrahedra and corners with two equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to one S(2), one S(4), one S(5), and one S(6) atom to form GeS4 tetrahedra that share corners with two equivalent Ga(1)S4 tetrahedra and corners with two equivalent Ge(1)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to two equivalent Ga(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the third S site, S(3) is bonded in a water-like geometry to two equivalent Ga(1) atoms. In the fourth S site, S(4) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the fifth S site, S(5) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. In the sixth S site, S(6) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_GaGeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.587
_cell_length_b   12.587
_cell_length_c   12.587
_cell_angle_alpha   126.781
_cell_angle_beta   126.131
_cell_angle_gamma   79.141
_symmetry_Int_Tables_number   1
_cell_volume   1247.461
_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  0.566  0.098  0.284  1.0
  Ga  Ga1  1  0.934  0.218  0.532  1.0
  Ga  Ga2  1  0.314  0.282  0.216  1.0
  Ga  Ga3  1  0.186  0.402  0.968  1.0
  Ge  Ge4  1  0.218  0.934  0.031  1.0
  Ge  Ge5  1  0.282  0.313  0.716  1.0
  Ge  Ge6  1  0.404  0.187  0.469  1.0
  Ge  Ge7  1  0.096  0.566  0.784  1.0
  S  S8  1  0.750  0.039  0.289  1.0
  S  S9  1  0.250  0.461  0.211  1.0
  S  S10  1  0.043  0.750  0.793  1.0
  S  S11  1  0.457  0.250  0.707  1.0
  S  S12  1  0.515  0.265  0.250  1.0
  S  S13  1  0.985  0.235  0.750  1.0
  S  S14  1  0.238  0.988  0.250  1.0
  S  S15  1  0.262  0.512  0.750  1.0
  S  S16  1  0.605  0.161  0.520  1.0
  S  S17  1  0.895  0.414  0.556  1.0
  S  S18  1  0.141  0.086  0.980  1.0
  S  S19  1  0.359  0.339  0.944  1.0
  S  S20  1  0.405  0.891  0.049  1.0
  S  S21  1  0.095  0.144  0.486  1.0
  S  S22  1  0.342  0.356  0.451  1.0
  S  S23  1  0.158  0.609  0.014  1.0
[/CIF]
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The structure described by Ge(Ga)S4 crystallizes in the orthorhombic I2_12_12_1 space group. Ga(1) is bonded to one S(1), one S(3), one S(5), and one S(6) atom to form GaS4 tetrahedra that share corners with two equivalent Ga(1)S4 tetrahedra and corners with two equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to one S(2), one S(4), one S(5), and one S(6) atom to form GeS4 tetrahedra that share corners with two equivalent Ga(1)S4 tetrahedra and corners with two equivalent Ge(1)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to two equivalent Ga(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the third S site, S(3) is bonded in a water-like geometry to two equivalent Ga(1) atoms. In the fourth S site, S(4) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the fifth S site, S(5) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. In the sixth S site, S(6) is bonded in a water-like geometry to one Ga(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_GaGeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.587
_cell_length_b   12.587
_cell_length_c   12.587
_cell_angle_alpha   126.781
_cell_angle_beta   126.131
_cell_angle_gamma   79.141
_symmetry_Int_Tables_number   1
_cell_volume   1247.461
_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  0.566  0.098  0.284  1.0
  Ga  Ga1  1  0.934  0.218  0.532  1.0
  Ga  Ga2  1  0.314  0.282  0.216  1.0
  Ga  Ga3  1  0.186  0.402  0.968  1.0
  Ge  Ge4  1  0.218  0.934  0.031  1.0
  Ge  Ge5  1  0.282  0.313  0.716  1.0
  Ge  Ge6  1  0.404  0.187  0.469  1.0
  Ge  Ge7  1  0.096  0.566  0.784  1.0
  S  S8  1  0.750  0.039  0.289  1.0
  S  S9  1  0.250  0.461  0.211  1.0
  S  S10  1  0.043  0.750  0.793  1.0
  S  S11  1  0.457  0.250  0.707  1.0
  S  S12  1  0.515  0.265  0.250  1.0
  S  S13  1  0.985  0.235  0.750  1.0
  S  S14  1  0.238  0.988  0.250  1.0
  S  S15  1  0.262  0.512  0.750  1.0
  S  S16  1  0.605  0.161  0.520  1.0
  S  S17  1  0.895  0.414  0.556  1.0
  S  S18  1  0.141  0.086  0.980  1.0
  S  S19  1  0.359  0.339  0.944  1.0
  S  S20  1  0.405  0.891  0.049  1.0
  S  S21  1  0.095  0.144  0.486  1.0
  S  S22  1  0.342  0.356  0.451  1.0
  S  S23  1  0.158  0.609  0.014  1.0
[/CIF]
.