The compound described by Ag7(SI)2 crystallizes in the triclinic P1 space group. There are seven inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to three equivalent Ag(4) and three equivalent I(2) atoms to form distorted AgAg3I3 octahedra that share corners with three equivalent I(1)Ag4 trigonal pyramids and edges with six equivalent Ag(1)Ag3I3 octahedra. In the second Ag site, Ag(2) is bonded in a distorted linear geometry to one S(2) and one I(2) atom. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to one S(1) and three equivalent I(1) atoms. In the fourth Ag site, Ag(4) is bonded in a distorted single-bond geometry to three equivalent Ag(1) and one I(1) atom. In the fifth Ag site, Ag(5) is bonded in a linear geometry to one S(1) and one S(2) atom. In the sixth Ag site, Ag(6) is bonded in a bent 150 degrees geometry to two equivalent S(1) atoms. In the seventh Ag site, Ag(7) is bonded in a 3-coordinate geometry to three equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to one Ag(3), one Ag(5), and two equivalent Ag(6) atoms. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one Ag(2), one Ag(5), and three equivalent Ag(7) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to one Ag(4) and three equivalent Ag(3) atoms to form distorted IAg4 trigonal pyramids that share corners with three equivalent Ag(1)Ag3I3 octahedra and corners with six equivalent I(1)Ag4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 58-63°. In the second I site, I(2) is bonded in a rectangular see-saw-like geometry to one Ag(2) and three equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_Ag7(SI)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.248
_cell_length_b   4.365
_cell_length_c   17.968
_cell_angle_alpha   93.356
_cell_angle_beta   91.623
_cell_angle_gamma   112.810
_symmetry_Int_Tables_number   1
_cell_volume   306.135
_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  0.761  0.804  0.689  1.0
  Ag  Ag1  1  0.235  0.030  0.918  1.0
  Ag  Ag2  1  0.335  0.026  0.367  1.0
  Ag  Ag3  1  0.104  0.444  0.610  1.0
  Ag  Ag4  1  0.307  0.860  0.148  1.0
  Ag  Ag5  1  0.997  0.278  0.239  1.0
  Ag  Ag6  1  0.675  0.393  0.053  1.0
  S  S7  1  0.544  0.750  0.263  1.0
  S  S8  1  0.025  0.001  0.042  1.0
  I  I9  1  0.031  0.389  0.453  1.0
  I  I10  1  0.410  0.160  0.778  1.0
[/CIF]
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The compound described by Ag7(SI)2 crystallizes in the triclinic P1 space group. There are seven inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to three equivalent Ag(4) and three equivalent I(2) atoms to form distorted AgAg3I3 octahedra that share corners with three equivalent I(1)Ag4 trigonal pyramids and edges with six equivalent Ag(1)Ag3I3 octahedra. In the second Ag site, Ag(2) is bonded in a distorted linear geometry to one S(2) and one I(2) atom. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to one S(1) and three equivalent I(1) atoms. In the fourth Ag site, Ag(4) is bonded in a distorted single-bond geometry to three equivalent Ag(1) and one I(1) atom. In the fifth Ag site, Ag(5) is bonded in a linear geometry to one S(1) and one S(2) atom. In the sixth Ag site, Ag(6) is bonded in a bent 150 degrees geometry to two equivalent S(1) atoms. In the seventh Ag site, Ag(7) is bonded in a 3-coordinate geometry to three equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to one Ag(3), one Ag(5), and two equivalent Ag(6) atoms. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one Ag(2), one Ag(5), and three equivalent Ag(7) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to one Ag(4) and three equivalent Ag(3) atoms to form distorted IAg4 trigonal pyramids that share corners with three equivalent Ag(1)Ag3I3 octahedra and corners with six equivalent I(1)Ag4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 58-63°. In the second I site, I(2) is bonded in a rectangular see-saw-like geometry to one Ag(2) and three equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_Ag7(SI)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.248
_cell_length_b   4.365
_cell_length_c   17.968
_cell_angle_alpha   93.356
_cell_angle_beta   91.623
_cell_angle_gamma   112.810
_symmetry_Int_Tables_number   1
_cell_volume   306.135
_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  0.761  0.804  0.689  1.0
  Ag  Ag1  1  0.235  0.030  0.918  1.0
  Ag  Ag2  1  0.335  0.026  0.367  1.0
  Ag  Ag3  1  0.104  0.444  0.610  1.0
  Ag  Ag4  1  0.307  0.860  0.148  1.0
  Ag  Ag5  1  0.997  0.278  0.239  1.0
  Ag  Ag6  1  0.675  0.393  0.053  1.0
  S  S7  1  0.544  0.750  0.263  1.0
  S  S8  1  0.025  0.001  0.042  1.0
  I  I9  1  0.031  0.389  0.453  1.0
  I  I10  1  0.410  0.160  0.778  1.0
[/CIF]
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