The crystal structure described by Ag2InGa(TeSe)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Ag sites. In the first Ag site, 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 Ag(2)Te2Se2 tetrahedra, corners with four equivalent In(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. In the second Ag site, Ag(2) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent In(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. In(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form InTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent Ag(2)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. 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 Ag(2)Te2Se2 tetrahedra, and corners with four equivalent In(1)Te2Se2 tetrahedra. Te(1) is bonded to one Ag(1), one Ag(2), one In(1), and one Ga(1) atom to form TeInGaAg2 tetrahedra that share corners with four equivalent Te(1)InGaAg2 tetrahedra and corners with eight equivalent Se(1)InGaAg2 tetrahedra. Se(1) is bonded to one Ag(1), one Ag(2), one In(1), and one Ga(1) atom to form SeInGaAg2 tetrahedra that share corners with four equivalent Se(1)InGaAg2 tetrahedra and corners with eight equivalent Te(1)InGaAg2 tetrahedra. is represented by the CIF file [CIF]
data_InGaAg2(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.305
_cell_length_b   6.353
_cell_length_c   7.540
_cell_angle_alpha   65.053
_cell_angle_beta   65.253
_cell_angle_gamma   89.933
_symmetry_Int_Tables_number   1
_cell_volume   243.027
_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
  In  In0  1  0.509  0.509  0.982  1.0
  Ga  Ga1  1  0.241  0.741  0.519  1.0
  Ag  Ag2  1  0.746  0.246  0.509  1.0
  Ag  Ag3  1  0.005  0.005  0.990  1.0
  Te  Te4  1  0.126  0.107  0.262  1.0
  Te  Te5  1  0.613  0.631  0.262  1.0
  Se  Se6  1  0.367  0.862  0.739  1.0
  Se  Se7  1  0.894  0.399  0.739  1.0
[/CIF]
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The crystal structure described by Ag2InGa(TeSe)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Ag sites. In the first Ag site, 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 Ag(2)Te2Se2 tetrahedra, corners with four equivalent In(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. In the second Ag site, Ag(2) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent In(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. In(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form InTe2Se2 tetrahedra that share corners with four equivalent Ag(1)Te2Se2 tetrahedra, corners with four equivalent Ag(2)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. 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 Ag(2)Te2Se2 tetrahedra, and corners with four equivalent In(1)Te2Se2 tetrahedra. Te(1) is bonded to one Ag(1), one Ag(2), one In(1), and one Ga(1) atom to form TeInGaAg2 tetrahedra that share corners with four equivalent Te(1)InGaAg2 tetrahedra and corners with eight equivalent Se(1)InGaAg2 tetrahedra. Se(1) is bonded to one Ag(1), one Ag(2), one In(1), and one Ga(1) atom to form SeInGaAg2 tetrahedra that share corners with four equivalent Se(1)InGaAg2 tetrahedra and corners with eight equivalent Te(1)InGaAg2 tetrahedra. is represented by the CIF file [CIF]
data_InGaAg2(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.305
_cell_length_b   6.353
_cell_length_c   7.540
_cell_angle_alpha   65.053
_cell_angle_beta   65.253
_cell_angle_gamma   89.933
_symmetry_Int_Tables_number   1
_cell_volume   243.027
_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
  In  In0  1  0.509  0.509  0.982  1.0
  Ga  Ga1  1  0.241  0.741  0.519  1.0
  Ag  Ag2  1  0.746  0.246  0.509  1.0
  Ag  Ag3  1  0.005  0.005  0.990  1.0
  Te  Te4  1  0.126  0.107  0.262  1.0
  Te  Te5  1  0.613  0.631  0.262  1.0
  Se  Se6  1  0.367  0.862  0.739  1.0
  Se  Se7  1  0.894  0.399  0.739  1.0
[/CIF]
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