The crystal structure described by K2SnTe5 crystallizes in the tetragonal I4cm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to four equivalent Te(1) and four equivalent Te(3) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(3) atoms. Sn(1) is bonded in a tetrahedral geometry to two equivalent Te(1) and two equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one Sn(1), and one Te(2) atom. In the second Te site, Te(2) is bonded in a square co-planar geometry to two equivalent Te(1) and two equivalent Te(3) atoms. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one Sn(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_K2SnTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.610
_cell_length_b   8.610
_cell_length_c   9.863
_cell_angle_alpha   115.878
_cell_angle_beta   115.878
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   575.247
_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
  K  K0  1  0.496  0.496  0.992  1.0
  K  K1  1  0.996  0.996  0.992  1.0
  K  K2  1  0.746  0.746  0.492  1.0
  K  K3  1  0.246  0.246  0.492  1.0
  Sn  Sn4  1  0.246  0.746  0.491  1.0
  Sn  Sn5  1  0.746  0.246  0.491  1.0
  Te  Te6  1  0.680  0.537  0.718  1.0
  Te  Te7  1  0.537  0.037  0.718  1.0
  Te  Te8  1  0.496  0.996  0.991  1.0
  Te  Te9  1  0.996  0.496  0.991  1.0
  Te  Te10  1  0.037  0.180  0.718  1.0
  Te  Te11  1  0.180  0.680  0.718  1.0
  Te  Te12  1  0.812  0.312  0.266  1.0
  Te  Te13  1  0.954  0.812  0.266  1.0
  Te  Te14  1  0.312  0.454  0.266  1.0
  Te  Te15  1  0.454  0.954  0.266  1.0
[/CIF]
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The crystal structure described by K2SnTe5 crystallizes in the tetragonal I4cm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to four equivalent Te(1) and four equivalent Te(3) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(3) atoms. Sn(1) is bonded in a tetrahedral geometry to two equivalent Te(1) and two equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one Sn(1), and one Te(2) atom. In the second Te site, Te(2) is bonded in a square co-planar geometry to two equivalent Te(1) and two equivalent Te(3) atoms. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one Sn(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_K2SnTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.610
_cell_length_b   8.610
_cell_length_c   9.863
_cell_angle_alpha   115.878
_cell_angle_beta   115.878
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   575.247
_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
  K  K0  1  0.496  0.496  0.992  1.0
  K  K1  1  0.996  0.996  0.992  1.0
  K  K2  1  0.746  0.746  0.492  1.0
  K  K3  1  0.246  0.246  0.492  1.0
  Sn  Sn4  1  0.246  0.746  0.491  1.0
  Sn  Sn5  1  0.746  0.246  0.491  1.0
  Te  Te6  1  0.680  0.537  0.718  1.0
  Te  Te7  1  0.537  0.037  0.718  1.0
  Te  Te8  1  0.496  0.996  0.991  1.0
  Te  Te9  1  0.996  0.496  0.991  1.0
  Te  Te10  1  0.037  0.180  0.718  1.0
  Te  Te11  1  0.180  0.680  0.718  1.0
  Te  Te12  1  0.812  0.312  0.266  1.0
  Te  Te13  1  0.954  0.812  0.266  1.0
  Te  Te14  1  0.312  0.454  0.266  1.0
  Te  Te15  1  0.454  0.954  0.266  1.0
[/CIF]
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