The compound described by Ag3SI is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. In the third Ag site, Ag(3) is bonded in a 3-coordinate geometry to two equivalent S(1) and one I(1) atom. S(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms to form distorted corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 13-39°. I(1) is bonded in a 5-coordinate geometry to one Ag(3), two equivalent Ag(1), and two equivalent Ag(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3SI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   4.925
_cell_length_c   5.121
_cell_angle_alpha   89.944
_cell_angle_beta   89.403
_cell_angle_gamma   88.719
_symmetry_Int_Tables_number   1
_cell_volume   123.344
_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
  Ag  Ag0  1  0.977  0.924  0.070  1.0
  Ag  Ag1  1  0.967  0.427  0.723  1.0
  Ag  Ag2  1  0.540  0.803  0.494  1.0
  S  S3  1  0.034  0.926  0.567  1.0
  I  I4  1  0.482  0.386  0.078  1.0
[/CIF]
.
The compound described by Ag3SI is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. In the third Ag site, Ag(3) is bonded in a 3-coordinate geometry to two equivalent S(1) and one I(1) atom. S(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms to form distorted corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 13-39°. I(1) is bonded in a 5-coordinate geometry to one Ag(3), two equivalent Ag(1), and two equivalent Ag(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3SI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   4.925
_cell_length_c   5.121
_cell_angle_alpha   89.944
_cell_angle_beta   89.403
_cell_angle_gamma   88.719
_symmetry_Int_Tables_number   1
_cell_volume   123.344
_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
  Ag  Ag0  1  0.977  0.924  0.070  1.0
  Ag  Ag1  1  0.967  0.427  0.723  1.0
  Ag  Ag2  1  0.540  0.803  0.494  1.0
  S  S3  1  0.034  0.926  0.567  1.0
  I  I4  1  0.482  0.386  0.078  1.0
[/CIF]
.