The material described by Ag2PbGeS4 crystallizes in the orthorhombic Ama2 space group. Ag(1) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(1) atoms. Pb(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Ag(1), one Pb(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Ag(1), two equivalent Pb(1), and one Ge(1) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_Ag2GePbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.234
_cell_length_b   6.234
_cell_length_c   10.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.788
_symmetry_Int_Tables_number   1
_cell_volume   364.725
_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
  Ag  Ag0  1  0.589  0.356  0.901  1.0
  Ag  Ag1  1  0.589  0.356  0.599  1.0
  Ag  Ag2  1  0.356  0.589  0.401  1.0
  Ag  Ag3  1  0.356  0.589  0.099  1.0
  Ge  Ge4  1  0.324  0.727  0.750  1.0
  Ge  Ge5  1  0.727  0.324  0.250  1.0
  Pb  Pb6  1  0.987  0.987  0.000  1.0
  Pb  Pb7  1  0.987  0.987  0.500  1.0
  S  S8  1  0.510  0.906  0.931  1.0
  S  S9  1  0.973  0.739  0.750  1.0
  S  S10  1  0.275  0.355  0.750  1.0
  S  S11  1  0.510  0.906  0.569  1.0
  S  S12  1  0.906  0.510  0.431  1.0
  S  S13  1  0.739  0.973  0.250  1.0
  S  S14  1  0.355  0.275  0.250  1.0
  S  S15  1  0.906  0.510  0.069  1.0
[/CIF]
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The material described by Ag2PbGeS4 crystallizes in the orthorhombic Ama2 space group. Ag(1) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(1) atoms. Pb(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Ag(1), one Pb(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Ag(1), two equivalent Pb(1), and one Ge(1) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_Ag2GePbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.234
_cell_length_b   6.234
_cell_length_c   10.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.788
_symmetry_Int_Tables_number   1
_cell_volume   364.725
_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
  Ag  Ag0  1  0.589  0.356  0.901  1.0
  Ag  Ag1  1  0.589  0.356  0.599  1.0
  Ag  Ag2  1  0.356  0.589  0.401  1.0
  Ag  Ag3  1  0.356  0.589  0.099  1.0
  Ge  Ge4  1  0.324  0.727  0.750  1.0
  Ge  Ge5  1  0.727  0.324  0.250  1.0
  Pb  Pb6  1  0.987  0.987  0.000  1.0
  Pb  Pb7  1  0.987  0.987  0.500  1.0
  S  S8  1  0.510  0.906  0.931  1.0
  S  S9  1  0.973  0.739  0.750  1.0
  S  S10  1  0.275  0.355  0.750  1.0
  S  S11  1  0.510  0.906  0.569  1.0
  S  S12  1  0.906  0.510  0.431  1.0
  S  S13  1  0.739  0.973  0.250  1.0
  S  S14  1  0.355  0.275  0.250  1.0
  S  S15  1  0.906  0.510  0.069  1.0
[/CIF]
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