The material structure described by AgCuIn2(TeSe)2 is beta beryllia-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 In(1)Te2Se2 tetrahedra, and corners with four equivalent In(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 In(1)Te2Se2 tetrahedra, and corners with four equivalent In(2)Te2Se2 tetrahedra. There are two inequivalent In sites. In the first In site, 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 Cu(1)Te2Se2 tetrahedra, and corners with four equivalent In(2)Te2Se2 tetrahedra. In the second In site, In(2) 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 Cu(1)Te2Se2 tetrahedra, and corners with four equivalent In(1)Te2Se2 tetrahedra. Te(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form TeIn2CuAg tetrahedra that share corners with four equivalent Te(1)In2CuAg tetrahedra and corners with eight equivalent Se(1)In2CuAg tetrahedra. Se(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form SeIn2CuAg tetrahedra that share corners with four equivalent Se(1)In2CuAg tetrahedra and corners with eight equivalent Te(1)In2CuAg tetrahedra. is represented by the CIF card [CIF]
data_In2CuAg(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.219
_cell_length_b   6.182
_cell_length_c   7.643
_cell_angle_alpha   65.771
_cell_angle_beta   65.621
_cell_angle_gamma   89.157
_symmetry_Int_Tables_number   1
_cell_volume   239.792
_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  0.242  0.742  0.516  1.0
  In  In1  1  0.506  0.506  0.988  1.0
  Cu  Cu2  1  0.010  0.010  0.979  1.0
  Ag  Ag3  1  0.739  0.239  0.522  1.0
  Te  Te4  1  0.110  0.118  0.236  1.0
  Te  Te5  1  0.654  0.647  0.236  1.0
  Se  Se6  1  0.353  0.882  0.762  1.0
  Se  Se7  1  0.886  0.356  0.762  1.0
[/CIF]
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The material structure described by AgCuIn2(TeSe)2 is beta beryllia-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 In(1)Te2Se2 tetrahedra, and corners with four equivalent In(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 In(1)Te2Se2 tetrahedra, and corners with four equivalent In(2)Te2Se2 tetrahedra. There are two inequivalent In sites. In the first In site, 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 Cu(1)Te2Se2 tetrahedra, and corners with four equivalent In(2)Te2Se2 tetrahedra. In the second In site, In(2) 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 Cu(1)Te2Se2 tetrahedra, and corners with four equivalent In(1)Te2Se2 tetrahedra. Te(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form TeIn2CuAg tetrahedra that share corners with four equivalent Te(1)In2CuAg tetrahedra and corners with eight equivalent Se(1)In2CuAg tetrahedra. Se(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form SeIn2CuAg tetrahedra that share corners with four equivalent Se(1)In2CuAg tetrahedra and corners with eight equivalent Te(1)In2CuAg tetrahedra. is represented by the CIF card [CIF]
data_In2CuAg(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.219
_cell_length_b   6.182
_cell_length_c   7.643
_cell_angle_alpha   65.771
_cell_angle_beta   65.621
_cell_angle_gamma   89.157
_symmetry_Int_Tables_number   1
_cell_volume   239.792
_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  0.242  0.742  0.516  1.0
  In  In1  1  0.506  0.506  0.988  1.0
  Cu  Cu2  1  0.010  0.010  0.979  1.0
  Ag  Ag3  1  0.739  0.239  0.522  1.0
  Te  Te4  1  0.110  0.118  0.236  1.0
  Te  Te5  1  0.654  0.647  0.236  1.0
  Se  Se6  1  0.353  0.882  0.762  1.0
  Se  Se7  1  0.886  0.356  0.762  1.0
[/CIF]
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