The crystal structure described by K2Sn(AsS3)2 crystallizes in the trigonal P-3 space group. K(1) is bonded in a 7-coordinate geometry to one As(1) and six equivalent S(1) atoms. Sn(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. As(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent S(1) atoms. S(1) is bonded to two equivalent K(1), one Sn(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing SK2SnAs tetrahedra. is represented by the CIF file [CIF]
data_K2Sn(AsS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.785
_cell_length_b   6.785
_cell_length_c   7.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   294.987
_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
  K  K0  1  0.333  0.667  0.602  1.0
  K  K1  1  0.667  0.333  0.398  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.333  0.667  0.066  1.0
  As  As4  1  0.667  0.333  0.934  1.0
  S  S5  1  0.229  0.891  0.222  1.0
  S  S6  1  0.891  0.662  0.778  1.0
  S  S7  1  0.771  0.109  0.778  1.0
  S  S8  1  0.338  0.229  0.778  1.0
  S  S9  1  0.662  0.771  0.222  1.0
  S  S10  1  0.109  0.338  0.222  1.0
[/CIF]
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The crystal structure described by K2Sn(AsS3)2 crystallizes in the trigonal P-3 space group. K(1) is bonded in a 7-coordinate geometry to one As(1) and six equivalent S(1) atoms. Sn(1) is bonded in an octahedral geometry to six equivalent S(1) atoms. As(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent S(1) atoms. S(1) is bonded to two equivalent K(1), one Sn(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing SK2SnAs tetrahedra. is represented by the CIF file [CIF]
data_K2Sn(AsS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.785
_cell_length_b   6.785
_cell_length_c   7.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   294.987
_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
  K  K0  1  0.333  0.667  0.602  1.0
  K  K1  1  0.667  0.333  0.398  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.333  0.667  0.066  1.0
  As  As4  1  0.667  0.333  0.934  1.0
  S  S5  1  0.229  0.891  0.222  1.0
  S  S6  1  0.891  0.662  0.778  1.0
  S  S7  1  0.771  0.109  0.778  1.0
  S  S8  1  0.338  0.229  0.778  1.0
  S  S9  1  0.662  0.771  0.222  1.0
  S  S10  1  0.109  0.338  0.222  1.0
[/CIF]
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