The material described by AgCuGa2(TeSe)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. Ag(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent Cu(1)Te2Se2 tetrahedra, corners with four equivalent Ga(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(2)Te2Se2 tetrahedra. Cu(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form CuTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent Ga(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(2)Te2Se2 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form GaTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent Cu(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(2)Te2Se2 tetrahedra. In the second Ga site, Ga(2) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form GaTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent Cu(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. Te(1) is bonded to one Ag(1), one Cu(1), one Ga(1), and one Ga(2) atom to form TeGa2CuAg tetrahedra that share corners with four equivalent Te(1)Ga2CuAg tetrahedra and corners with eight equivalent Se(1)Ga2CuAg tetrahedra. Se(1) is bonded to one Ag(1), one Cu(1), one Ga(1), and one Ga(2) atom to form SeGa2CuAg tetrahedra that share corners with four equivalent Se(1)Ga2CuAg tetrahedra and corners with eight equivalent Te(1)Ga2CuAg tetrahedra. is represented by the CIF card [CIF]
data_Ga2CuAg(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.274
_cell_length_b   7.274
_cell_length_c   6.040
_cell_angle_alpha   65.592
_cell_angle_beta   65.592
_cell_angle_gamma   107.910
_symmetry_Int_Tables_number   1
_cell_volume   216.497
_cell_formula_units_Z   1
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  0.741  0.259  0.500  1.0
  Ga  Ga1  1  0.509  0.491  0.000  1.0
  Cu  Cu2  1  0.007  0.993  0.000  1.0
  Ag  Ag3  1  0.242  0.758  0.500  1.0
  Te  Te4  1  0.644  0.881  0.489  1.0
  Te  Te5  1  0.119  0.356  0.511  1.0
  Se  Se6  1  0.382  0.144  0.972  1.0
  Se  Se7  1  0.856  0.618  0.028  1.0
[/CIF]
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The material described by AgCuGa2(TeSe)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. Ag(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent Cu(1)Te2Se2 tetrahedra, corners with four equivalent Ga(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(2)Te2Se2 tetrahedra. Cu(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form CuTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent Ga(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(2)Te2Se2 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form GaTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent Cu(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(2)Te2Se2 tetrahedra. In the second Ga site, Ga(2) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form GaTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent Cu(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. Te(1) is bonded to one Ag(1), one Cu(1), one Ga(1), and one Ga(2) atom to form TeGa2CuAg tetrahedra that share corners with four equivalent Te(1)Ga2CuAg tetrahedra and corners with eight equivalent Se(1)Ga2CuAg tetrahedra. Se(1) is bonded to one Ag(1), one Cu(1), one Ga(1), and one Ga(2) atom to form SeGa2CuAg tetrahedra that share corners with four equivalent Se(1)Ga2CuAg tetrahedra and corners with eight equivalent Te(1)Ga2CuAg tetrahedra. is represented by the CIF card [CIF]
data_Ga2CuAg(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.274
_cell_length_b   7.274
_cell_length_c   6.040
_cell_angle_alpha   65.592
_cell_angle_beta   65.592
_cell_angle_gamma   107.910
_symmetry_Int_Tables_number   1
_cell_volume   216.497
_cell_formula_units_Z   1
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  0.741  0.259  0.500  1.0
  Ga  Ga1  1  0.509  0.491  0.000  1.0
  Cu  Cu2  1  0.007  0.993  0.000  1.0
  Ag  Ag3  1  0.242  0.758  0.500  1.0
  Te  Te4  1  0.644  0.881  0.489  1.0
  Te  Te5  1  0.119  0.356  0.511  1.0
  Se  Se6  1  0.382  0.144  0.972  1.0
  Se  Se7  1  0.856  0.618  0.028  1.0
[/CIF]
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