The material structure described by Ag6SbAsS6 crystallizes in the trigonal R3 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted T-shaped geometry to one S(2) and two equivalent S(1) atoms. In the second Ag site, Ag(2) is bonded in a distorted T-shaped geometry to one S(1) and two equivalent S(2) atoms. Sb(1) is bonded in a 3-coordinate geometry to three equivalent S(2) atoms. As(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), and one As(1) atom to form SAg3As trigonal pyramids that share corners with four equivalent S(1)Ag3As trigonal pyramids and corners with four equivalent S(2)Ag3Sb trigonal pyramids. In the second S site, S(2) is bonded to one Ag(1), two equivalent Ag(2), and one Sb(1) atom to form SAg3Sb trigonal pyramids that share corners with four equivalent S(1)Ag3As trigonal pyramids and corners with four equivalent S(2)Ag3Sb trigonal pyramids. is represented by the CIF file [CIF]
data_Ag6SbAsS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.055
_cell_length_b   7.055
_cell_length_c   7.055
_cell_angle_alpha   102.124
_cell_angle_beta   102.124
_cell_angle_gamma   102.124
_symmetry_Int_Tables_number   1
_cell_volume   323.588
_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  0.979  0.784  0.430  1.0
  Ag  Ag1  1  0.430  0.979  0.784  1.0
  Ag  Ag2  1  0.784  0.430  0.979  1.0
  Ag  Ag3  1  0.933  0.277  0.475  1.0
  Ag  Ag4  1  0.475  0.933  0.277  1.0
  Ag  Ag5  1  0.277  0.475  0.933  1.0
  Sb  Sb6  1  0.524  0.524  0.524  1.0
  As  As7  1  0.005  0.005  0.005  1.0
  S  S8  1  0.100  0.776  0.782  1.0
  S  S9  1  0.782  0.100  0.776  1.0
  S  S10  1  0.776  0.782  0.100  1.0
  S  S11  1  0.279  0.267  0.611  1.0
  S  S12  1  0.611  0.279  0.267  1.0
  S  S13  1  0.267  0.611  0.279  1.0
[/CIF]
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The material structure described by Ag6SbAsS6 crystallizes in the trigonal R3 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted T-shaped geometry to one S(2) and two equivalent S(1) atoms. In the second Ag site, Ag(2) is bonded in a distorted T-shaped geometry to one S(1) and two equivalent S(2) atoms. Sb(1) is bonded in a 3-coordinate geometry to three equivalent S(2) atoms. As(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), and one As(1) atom to form SAg3As trigonal pyramids that share corners with four equivalent S(1)Ag3As trigonal pyramids and corners with four equivalent S(2)Ag3Sb trigonal pyramids. In the second S site, S(2) is bonded to one Ag(1), two equivalent Ag(2), and one Sb(1) atom to form SAg3Sb trigonal pyramids that share corners with four equivalent S(1)Ag3As trigonal pyramids and corners with four equivalent S(2)Ag3Sb trigonal pyramids. is represented by the CIF file [CIF]
data_Ag6SbAsS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.055
_cell_length_b   7.055
_cell_length_c   7.055
_cell_angle_alpha   102.124
_cell_angle_beta   102.124
_cell_angle_gamma   102.124
_symmetry_Int_Tables_number   1
_cell_volume   323.588
_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  0.979  0.784  0.430  1.0
  Ag  Ag1  1  0.430  0.979  0.784  1.0
  Ag  Ag2  1  0.784  0.430  0.979  1.0
  Ag  Ag3  1  0.933  0.277  0.475  1.0
  Ag  Ag4  1  0.475  0.933  0.277  1.0
  Ag  Ag5  1  0.277  0.475  0.933  1.0
  Sb  Sb6  1  0.524  0.524  0.524  1.0
  As  As7  1  0.005  0.005  0.005  1.0
  S  S8  1  0.100  0.776  0.782  1.0
  S  S9  1  0.782  0.100  0.776  1.0
  S  S10  1  0.776  0.782  0.100  1.0
  S  S11  1  0.279  0.267  0.611  1.0
  S  S12  1  0.611  0.279  0.267  1.0
  S  S13  1  0.267  0.611  0.279  1.0
[/CIF]
.