The material described by K2SnTe3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. Sn(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form edge-sharing SnTe4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Sn(1) atoms. In the second Te site, Te(1) is bonded in a distorted hexagonal planar geometry to two equivalent K(1), three equivalent K(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_K2SnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.437
_cell_length_b   12.437
_cell_length_c   8.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.862
_symmetry_Int_Tables_number   1
_cell_volume   892.349
_cell_formula_units_Z   4
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  0.078  0.922  0.000  1.0
  K  K1  1  0.422  0.578  0.500  1.0
  K  K2  1  0.922  0.078  0.000  1.0
  K  K3  1  0.578  0.422  0.500  1.0
  K  K4  1  0.234  0.766  0.000  1.0
  K  K5  1  0.734  0.266  0.500  1.0
  K  K6  1  0.266  0.734  0.500  1.0
  K  K7  1  0.766  0.234  0.000  1.0
  Sn  Sn8  1  0.416  0.584  0.000  1.0
  Sn  Sn9  1  0.084  0.916  0.500  1.0
  Sn  Sn10  1  0.584  0.416  0.000  1.0
  Sn  Sn11  1  0.916  0.084  0.500  1.0
  Te  Te12  1  0.334  0.035  0.685  1.0
  Te  Te13  1  0.535  0.834  0.815  1.0
  Te  Te14  1  0.166  0.465  0.185  1.0
  Te  Te15  1  0.965  0.666  0.315  1.0
  Te  Te16  1  0.666  0.965  0.315  1.0
  Te  Te17  1  0.465  0.166  0.185  1.0
  Te  Te18  1  0.834  0.535  0.815  1.0
  Te  Te19  1  0.035  0.334  0.685  1.0
  Te  Te20  1  0.833  0.833  0.667  1.0
  Te  Te21  1  0.333  0.333  0.833  1.0
  Te  Te22  1  0.667  0.667  0.167  1.0
  Te  Te23  1  0.167  0.167  0.333  1.0
[/CIF]
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The material described by K2SnTe3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. Sn(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form edge-sharing SnTe4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Sn(1) atoms. In the second Te site, Te(1) is bonded in a distorted hexagonal planar geometry to two equivalent K(1), three equivalent K(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_K2SnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.437
_cell_length_b   12.437
_cell_length_c   8.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.862
_symmetry_Int_Tables_number   1
_cell_volume   892.349
_cell_formula_units_Z   4
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  0.078  0.922  0.000  1.0
  K  K1  1  0.422  0.578  0.500  1.0
  K  K2  1  0.922  0.078  0.000  1.0
  K  K3  1  0.578  0.422  0.500  1.0
  K  K4  1  0.234  0.766  0.000  1.0
  K  K5  1  0.734  0.266  0.500  1.0
  K  K6  1  0.266  0.734  0.500  1.0
  K  K7  1  0.766  0.234  0.000  1.0
  Sn  Sn8  1  0.416  0.584  0.000  1.0
  Sn  Sn9  1  0.084  0.916  0.500  1.0
  Sn  Sn10  1  0.584  0.416  0.000  1.0
  Sn  Sn11  1  0.916  0.084  0.500  1.0
  Te  Te12  1  0.334  0.035  0.685  1.0
  Te  Te13  1  0.535  0.834  0.815  1.0
  Te  Te14  1  0.166  0.465  0.185  1.0
  Te  Te15  1  0.965  0.666  0.315  1.0
  Te  Te16  1  0.666  0.965  0.315  1.0
  Te  Te17  1  0.465  0.166  0.185  1.0
  Te  Te18  1  0.834  0.535  0.815  1.0
  Te  Te19  1  0.035  0.334  0.685  1.0
  Te  Te20  1  0.833  0.833  0.667  1.0
  Te  Te21  1  0.333  0.333  0.833  1.0
  Te  Te22  1  0.667  0.667  0.167  1.0
  Te  Te23  1  0.167  0.167  0.333  1.0
[/CIF]
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