The structure described by CuGaSSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. Cu(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CuSe2S2 tetrahedra that share corners with four equivalent Cu(1)Se2S2 tetrahedra and corners with eight equivalent Ga(1)Se2S2 tetrahedra. Ga(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form GaSe2S2 tetrahedra that share corners with four equivalent Ga(1)Se2S2 tetrahedra and corners with eight equivalent Cu(1)Se2S2 tetrahedra. Se(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form SeGa2Cu2 tetrahedra that share corners with four equivalent Se(1)Ga2Cu2 tetrahedra and corners with eight equivalent S(1)Ga2Cu2 tetrahedra. S(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form SGa2Cu2 tetrahedra that share corners with four equivalent S(1)Ga2Cu2 tetrahedra and corners with eight equivalent Se(1)Ga2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_GaCuSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.478
_cell_length_c   6.672
_cell_angle_alpha   65.761
_cell_angle_beta   65.795
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.860
_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
  Ga  Ga0  1  0.245  0.745  0.511  1.0
  Ga  Ga1  1  0.505  0.505  0.989  1.0
  Cu  Cu2  1  0.739  0.239  0.522  1.0
  Cu  Cu3  1  0.011  0.011  0.978  1.0
  Se  Se4  1  0.117  0.125  0.250  1.0
  Se  Se5  1  0.633  0.625  0.250  1.0
  S  S6  1  0.375  0.874  0.750  1.0
  S  S7  1  0.875  0.376  0.750  1.0
[/CIF]
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The structure described by CuGaSSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. Cu(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CuSe2S2 tetrahedra that share corners with four equivalent Cu(1)Se2S2 tetrahedra and corners with eight equivalent Ga(1)Se2S2 tetrahedra. Ga(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form GaSe2S2 tetrahedra that share corners with four equivalent Ga(1)Se2S2 tetrahedra and corners with eight equivalent Cu(1)Se2S2 tetrahedra. Se(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form SeGa2Cu2 tetrahedra that share corners with four equivalent Se(1)Ga2Cu2 tetrahedra and corners with eight equivalent S(1)Ga2Cu2 tetrahedra. S(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form SGa2Cu2 tetrahedra that share corners with four equivalent S(1)Ga2Cu2 tetrahedra and corners with eight equivalent Se(1)Ga2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_GaCuSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.478
_cell_length_c   6.672
_cell_angle_alpha   65.761
_cell_angle_beta   65.795
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.860
_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
  Ga  Ga0  1  0.245  0.745  0.511  1.0
  Ga  Ga1  1  0.505  0.505  0.989  1.0
  Cu  Cu2  1  0.739  0.239  0.522  1.0
  Cu  Cu3  1  0.011  0.011  0.978  1.0
  Se  Se4  1  0.117  0.125  0.250  1.0
  Se  Se5  1  0.633  0.625  0.250  1.0
  S  S6  1  0.375  0.874  0.750  1.0
  S  S7  1  0.875  0.376  0.750  1.0
[/CIF]
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