The crystal structure 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 8-coordinate geometry to one Ag(2), one Ag(5), one Ag(6), one Ag(8), one Te(1), one Te(2), one Te(3), and one Te(5) atom. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to one Ag(1), one Ag(4), 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 5-coordinate geometry to 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 7-coordinate geometry to one Ag(2), one Ag(5), one Ag(8), one Te(1), one Te(2), one Te(3), and one Te(6) atom. In the fifth Ag site, Ag(5) is bonded in a 7-coordinate geometry to one Ag(1), one Ag(4), one Ag(7), 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 5-coordinate geometry to one Ag(5), 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(1), one Ag(4), 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 7-coordinate geometry to one Ag(1), 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 in a 7-coordinate geometry to one Ag(1), one Ag(2), one Ag(4), one Ag(5), one Ag(7), one Ag(8), and one Ge(1) atom. In the fourth Te site, Te(4) is bonded to one Ag(2), one Ag(3), one Ag(6), one Ag(8), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing TeAg4Ge square pyramids. In the fifth Te site, Te(5) is bonded to one Ag(1), one Ag(3), one Ag(6), one Ag(7), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing TeAg4Ge trigonal bipyramids. In the sixth Te site, Te(6) is bonded in a distorted T-shaped geometry to one Ag(4), one Ag(5), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ag8GeTe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.154
_cell_length_b   8.167
_cell_length_c   8.302
_cell_angle_alpha   61.766
_cell_angle_beta   62.094
_cell_angle_gamma   63.618
_symmetry_Int_Tables_number   1
_cell_volume   412.404
_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  0.120  0.797  0.779  1.0
  Ag  Ag1  1  0.830  0.164  0.764  1.0
  Ag  Ag2  1  0.785  0.792  0.416  1.0
  Ag  Ag3  1  0.690  0.337  0.060  1.0
  Ag  Ag4  1  0.349  0.666  0.024  1.0
  Ag  Ag5  1  0.982  0.995  0.449  1.0
  Ag  Ag6  1  0.431  0.999  0.974  1.0
  Ag  Ag7  1  0.033  0.413  0.972  1.0
  Ge  Ge8  1  0.509  0.514  0.460  1.0
  Te  Te9  1  0.014  0.995  0.048  1.0
  Te  Te10  1  0.759  0.743  0.787  1.0
  Te  Te11  1  0.422  0.395  0.840  1.0
  Te  Te12  1  0.890  0.405  0.367  1.0
  Te  Te13  1  0.402  0.892  0.372  1.0
  Te  Te14  1  0.355  0.357  0.379  1.0
[/CIF]
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The crystal structure 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 8-coordinate geometry to one Ag(2), one Ag(5), one Ag(6), one Ag(8), one Te(1), one Te(2), one Te(3), and one Te(5) atom. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to one Ag(1), one Ag(4), 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 5-coordinate geometry to 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 7-coordinate geometry to one Ag(2), one Ag(5), one Ag(8), one Te(1), one Te(2), one Te(3), and one Te(6) atom. In the fifth Ag site, Ag(5) is bonded in a 7-coordinate geometry to one Ag(1), one Ag(4), one Ag(7), 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 5-coordinate geometry to one Ag(5), 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(1), one Ag(4), 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 7-coordinate geometry to one Ag(1), 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 in a 7-coordinate geometry to one Ag(1), one Ag(2), one Ag(4), one Ag(5), one Ag(7), one Ag(8), and one Ge(1) atom. In the fourth Te site, Te(4) is bonded to one Ag(2), one Ag(3), one Ag(6), one Ag(8), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing TeAg4Ge square pyramids. In the fifth Te site, Te(5) is bonded to one Ag(1), one Ag(3), one Ag(6), one Ag(7), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing TeAg4Ge trigonal bipyramids. In the sixth Te site, Te(6) is bonded in a distorted T-shaped geometry to one Ag(4), one Ag(5), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ag8GeTe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.154
_cell_length_b   8.167
_cell_length_c   8.302
_cell_angle_alpha   61.766
_cell_angle_beta   62.094
_cell_angle_gamma   63.618
_symmetry_Int_Tables_number   1
_cell_volume   412.404
_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  0.120  0.797  0.779  1.0
  Ag  Ag1  1  0.830  0.164  0.764  1.0
  Ag  Ag2  1  0.785  0.792  0.416  1.0
  Ag  Ag3  1  0.690  0.337  0.060  1.0
  Ag  Ag4  1  0.349  0.666  0.024  1.0
  Ag  Ag5  1  0.982  0.995  0.449  1.0
  Ag  Ag6  1  0.431  0.999  0.974  1.0
  Ag  Ag7  1  0.033  0.413  0.972  1.0
  Ge  Ge8  1  0.509  0.514  0.460  1.0
  Te  Te9  1  0.014  0.995  0.048  1.0
  Te  Te10  1  0.759  0.743  0.787  1.0
  Te  Te11  1  0.422  0.395  0.840  1.0
  Te  Te12  1  0.890  0.405  0.367  1.0
  Te  Te13  1  0.402  0.892  0.372  1.0
  Te  Te14  1  0.355  0.357  0.379  1.0
[/CIF]
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