The material described by AgIn2Te3Cl crystallizes in the tetragonal P4/mmm space group. Ag(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form AgTe6 octahedra that share corners with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, and edges with eight equivalent In(1)Te5Cl octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to one Te(2), four equivalent Te(1), and one Cl(1) atom to form distorted InTe5Cl octahedra that share corners with six equivalent In(1)Te5Cl octahedra, edges with four equivalent Ag(1)Te6 octahedra, and edges with four equivalent In(1)Te5Cl octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(1) and four equivalent In(1) atoms to form TeIn4Ag square pyramids that share corners with five equivalent Te(1)In4Ag square pyramids, edges with four equivalent Te(2)In2Ag4 octahedra, and edges with four equivalent Te(1)In4Ag square pyramids. In the second Te site, Te(2) is bonded to four equivalent Ag(1) and two equivalent In(1) atoms to form TeIn2Ag4 octahedra that share corners with four equivalent Te(2)In2Ag4 octahedra, edges with four equivalent Te(2)In2Ag4 octahedra, and edges with eight equivalent Te(1)In4Ag square pyramids. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a linear geometry to two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_In2AgTe3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.303
_cell_length_b   4.303
_cell_length_c   11.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.107
_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  0.500  0.500  0.730  1.0
  In  In1  1  0.500  0.500  0.270  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  Te  Te3  1  0.000  0.000  0.753  1.0
  Te  Te4  1  0.000  0.000  0.247  1.0
  Te  Te5  1  0.500  0.500  0.000  1.0
  Cl  Cl6  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by AgIn2Te3Cl crystallizes in the tetragonal P4/mmm space group. Ag(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form AgTe6 octahedra that share corners with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, and edges with eight equivalent In(1)Te5Cl octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to one Te(2), four equivalent Te(1), and one Cl(1) atom to form distorted InTe5Cl octahedra that share corners with six equivalent In(1)Te5Cl octahedra, edges with four equivalent Ag(1)Te6 octahedra, and edges with four equivalent In(1)Te5Cl octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(1) and four equivalent In(1) atoms to form TeIn4Ag square pyramids that share corners with five equivalent Te(1)In4Ag square pyramids, edges with four equivalent Te(2)In2Ag4 octahedra, and edges with four equivalent Te(1)In4Ag square pyramids. In the second Te site, Te(2) is bonded to four equivalent Ag(1) and two equivalent In(1) atoms to form TeIn2Ag4 octahedra that share corners with four equivalent Te(2)In2Ag4 octahedra, edges with four equivalent Te(2)In2Ag4 octahedra, and edges with eight equivalent Te(1)In4Ag square pyramids. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a linear geometry to two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_In2AgTe3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.303
_cell_length_b   4.303
_cell_length_c   11.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.107
_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  0.500  0.500  0.730  1.0
  In  In1  1  0.500  0.500  0.270  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  Te  Te3  1  0.000  0.000  0.753  1.0
  Te  Te4  1  0.000  0.000  0.247  1.0
  Te  Te5  1  0.500  0.500  0.000  1.0
  Cl  Cl6  1  0.500  0.500  0.500  1.0
[/CIF]
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