The compound described by AgInTeSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 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 Ag(1)Te2Se2 tetrahedra and corners with eight equivalent In(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 In(1)Te2Se2 tetrahedra and corners with eight equivalent Ag(1)Te2Se2 tetrahedra. Te(1) is bonded to two equivalent Ag(1) and two equivalent In(1) atoms to form TeIn2Ag2 tetrahedra that share corners with four equivalent Te(1)In2Ag2 tetrahedra and corners with eight equivalent Se(1)In2Ag2 tetrahedra. Se(1) is bonded to two equivalent Ag(1) and two equivalent In(1) atoms to form SeIn2Ag2 tetrahedra that share corners with four equivalent Se(1)In2Ag2 tetrahedra and corners with eight equivalent Te(1)In2Ag2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InAgTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.403
_cell_length_b   6.457
_cell_length_c   7.716
_cell_angle_alpha   65.266
_cell_angle_beta   65.488
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.764
_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
  In  In0  1  0.241  0.741  0.518  1.0
  In  In1  1  0.509  0.509  0.982  1.0
  Ag  Ag2  1  0.744  0.244  0.512  1.0
  Ag  Ag3  1  0.006  0.006  0.988  1.0
  Te  Te4  1  0.121  0.125  0.250  1.0
  Te  Te5  1  0.629  0.625  0.250  1.0
  Se  Se6  1  0.375  0.869  0.750  1.0
  Se  Se7  1  0.875  0.381  0.750  1.0
[/CIF]
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The compound described by AgInTeSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 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 Ag(1)Te2Se2 tetrahedra and corners with eight equivalent In(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 In(1)Te2Se2 tetrahedra and corners with eight equivalent Ag(1)Te2Se2 tetrahedra. Te(1) is bonded to two equivalent Ag(1) and two equivalent In(1) atoms to form TeIn2Ag2 tetrahedra that share corners with four equivalent Te(1)In2Ag2 tetrahedra and corners with eight equivalent Se(1)In2Ag2 tetrahedra. Se(1) is bonded to two equivalent Ag(1) and two equivalent In(1) atoms to form SeIn2Ag2 tetrahedra that share corners with four equivalent Se(1)In2Ag2 tetrahedra and corners with eight equivalent Te(1)In2Ag2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InAgTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.403
_cell_length_b   6.457
_cell_length_c   7.716
_cell_angle_alpha   65.266
_cell_angle_beta   65.488
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.764
_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
  In  In0  1  0.241  0.741  0.518  1.0
  In  In1  1  0.509  0.509  0.982  1.0
  Ag  Ag2  1  0.744  0.244  0.512  1.0
  Ag  Ag3  1  0.006  0.006  0.988  1.0
  Te  Te4  1  0.121  0.125  0.250  1.0
  Te  Te5  1  0.629  0.625  0.250  1.0
  Se  Se6  1  0.375  0.869  0.750  1.0
  Se  Se7  1  0.875  0.381  0.750  1.0
[/CIF]
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