The material described by Ag8GeTe6 crystallizes in the triclinic P1 space group. There are eight inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one Ag(2), one Ag(4), one Ag(6), one Te(1), one Te(3), and one Te(5) atom. In the second Ag site, Ag(2) is bonded in a 7-coordinate geometry to one Ag(1), one Ag(4), one Ag(5), one Ag(6), one Te(1), one Te(3), and one Te(4) atom. In the third Ag site, Ag(3) is bonded in a 6-coordinate geometry to one Ag(4), one Ag(6), one Te(1), one Te(2), one Te(4), and one Te(5) atom. In the fourth Ag site, Ag(4) is bonded in a 9-coordinate geometry to one Ag(1), one Ag(2), one Ag(3), one Ag(7), one Ag(8), one Te(1), one Te(2), one Te(4), and one Te(5) atom. In the fifth Ag site, Ag(5) is bonded in a 6-coordinate geometry to one Ag(2), one Ag(8), one Te(1), one Te(2), one Te(3), and one Te(6) atom. In the sixth Ag site, Ag(6) is bonded in a 7-coordinate geometry to one Ag(1), one Ag(2), one Ag(3), one Te(1), one Te(2), one Te(4), and one Te(5) atom. In the seventh Ag site, Ag(7) is bonded in a 4-coordinate geometry to one Ag(4), one Te(1), one Te(2), one Te(3), and one Te(5) atom. In the eighth Ag site, Ag(8) is bonded in a 6-coordinate geometry to one Ag(4), one Ag(5), one Te(1), one Te(2), one Te(3), and one Te(4) atom. Ge(1) is bonded in a tetrahedral geometry to one Te(3), one Te(4), one Te(5), and one Te(6) atom. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to one Ag(1), one Ag(2), one Ag(3), one Ag(4), one Ag(5), one Ag(6), one Ag(7), and one Ag(8) atom. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to one Ag(3), one Ag(4), one Ag(5), one Ag(6), one Ag(7), and one Ag(8) atom. In the third Te site, Te(3) is bonded to one Ag(1), one Ag(2), one Ag(5), one Ag(7), one Ag(8), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing TeAg5Ge pentagonal pyramids. In the fourth Te site, Te(4) is bonded to one Ag(2), one Ag(3), one Ag(4), one Ag(6), one Ag(8), and one Ge(1) atom to form a mixture of distorted edge, corner, and face-sharing TeAg5Ge pentagonal pyramids. In the fifth Te site, Te(5) is bonded to one Ag(1), one Ag(3), one Ag(4), one Ag(6), one Ag(7), and one Ge(1) atom to form a mixture of distorted edge, corner, and face-sharing TeAg5Ge pentagonal pyramids. In the sixth Te site, Te(6) is bonded in an L-shaped geometry to one Ag(5) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag8GeTe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.181
_cell_length_b   8.191
_cell_length_c   8.384
_cell_angle_alpha   61.468
_cell_angle_beta   61.909
_cell_angle_gamma   61.737
_symmetry_Int_Tables_number   1
_cell_volume   412.452
_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  0.193  0.816  0.224  1.0
  Ag  Ag1  1  0.848  0.175  0.238  1.0
  Ag  Ag2  1  0.202  0.204  0.607  1.0
  Ag  Ag3  1  0.213  0.200  0.946  1.0
  Ag  Ag4  1  0.599  0.374  0.983  1.0
  Ag  Ag5  1  0.022  0.012  0.550  1.0
  Ag  Ag6  1  0.015  0.594  0.015  1.0
  Ag  Ag7  1  0.590  0.005  0.019  1.0
  Ge  Ge8  1  0.511  0.501  0.523  1.0
  Te  Te9  1  0.983  0.994  0.962  1.0
  Te  Te10  1  0.253  0.260  0.229  1.0
  Te  Te11  1  0.611  0.607  0.146  1.0
  Te  Te12  1  0.603  0.116  0.624  1.0
  Te  Te13  1  0.124  0.601  0.625  1.0
  Te  Te14  1  0.661  0.637  0.619  1.0
[/CIF]
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The material described by Ag8GeTe6 crystallizes in the triclinic P1 space group. There are eight inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one Ag(2), one Ag(4), one Ag(6), one Te(1), one Te(3), and one Te(5) atom. In the second Ag site, Ag(2) is bonded in a 7-coordinate geometry to one Ag(1), one Ag(4), one Ag(5), one Ag(6), one Te(1), one Te(3), and one Te(4) atom. In the third Ag site, Ag(3) is bonded in a 6-coordinate geometry to one Ag(4), one Ag(6), one Te(1), one Te(2), one Te(4), and one Te(5) atom. In the fourth Ag site, Ag(4) is bonded in a 9-coordinate geometry to one Ag(1), one Ag(2), one Ag(3), one Ag(7), one Ag(8), one Te(1), one Te(2), one Te(4), and one Te(5) atom. In the fifth Ag site, Ag(5) is bonded in a 6-coordinate geometry to one Ag(2), one Ag(8), one Te(1), one Te(2), one Te(3), and one Te(6) atom. In the sixth Ag site, Ag(6) is bonded in a 7-coordinate geometry to one Ag(1), one Ag(2), one Ag(3), one Te(1), one Te(2), one Te(4), and one Te(5) atom. In the seventh Ag site, Ag(7) is bonded in a 4-coordinate geometry to one Ag(4), one Te(1), one Te(2), one Te(3), and one Te(5) atom. In the eighth Ag site, Ag(8) is bonded in a 6-coordinate geometry to one Ag(4), one Ag(5), one Te(1), one Te(2), one Te(3), and one Te(4) atom. Ge(1) is bonded in a tetrahedral geometry to one Te(3), one Te(4), one Te(5), and one Te(6) atom. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to one Ag(1), one Ag(2), one Ag(3), one Ag(4), one Ag(5), one Ag(6), one Ag(7), and one Ag(8) atom. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to one Ag(3), one Ag(4), one Ag(5), one Ag(6), one Ag(7), and one Ag(8) atom. In the third Te site, Te(3) is bonded to one Ag(1), one Ag(2), one Ag(5), one Ag(7), one Ag(8), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing TeAg5Ge pentagonal pyramids. In the fourth Te site, Te(4) is bonded to one Ag(2), one Ag(3), one Ag(4), one Ag(6), one Ag(8), and one Ge(1) atom to form a mixture of distorted edge, corner, and face-sharing TeAg5Ge pentagonal pyramids. In the fifth Te site, Te(5) is bonded to one Ag(1), one Ag(3), one Ag(4), one Ag(6), one Ag(7), and one Ge(1) atom to form a mixture of distorted edge, corner, and face-sharing TeAg5Ge pentagonal pyramids. In the sixth Te site, Te(6) is bonded in an L-shaped geometry to one Ag(5) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag8GeTe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.181
_cell_length_b   8.191
_cell_length_c   8.384
_cell_angle_alpha   61.468
_cell_angle_beta   61.909
_cell_angle_gamma   61.737
_symmetry_Int_Tables_number   1
_cell_volume   412.452
_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  0.193  0.816  0.224  1.0
  Ag  Ag1  1  0.848  0.175  0.238  1.0
  Ag  Ag2  1  0.202  0.204  0.607  1.0
  Ag  Ag3  1  0.213  0.200  0.946  1.0
  Ag  Ag4  1  0.599  0.374  0.983  1.0
  Ag  Ag5  1  0.022  0.012  0.550  1.0
  Ag  Ag6  1  0.015  0.594  0.015  1.0
  Ag  Ag7  1  0.590  0.005  0.019  1.0
  Ge  Ge8  1  0.511  0.501  0.523  1.0
  Te  Te9  1  0.983  0.994  0.962  1.0
  Te  Te10  1  0.253  0.260  0.229  1.0
  Te  Te11  1  0.611  0.607  0.146  1.0
  Te  Te12  1  0.603  0.116  0.624  1.0
  Te  Te13  1  0.124  0.601  0.625  1.0
  Te  Te14  1  0.661  0.637  0.619  1.0
[/CIF]
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