The structure described by K6Cd4Sn3Se13 crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(3) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(4) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Se(2) and three equivalent Se(3) atoms to form CdSe4 tetrahedra that share corners with three equivalent Cd(2)Se4 tetrahedra and corners with three equivalent Sn(1)Se4 tetrahedra. In the second Cd site, Cd(2) is bonded to one Se(2), one Se(4), and two equivalent Se(1) atoms to form CdSe4 tetrahedra that share  a cornercorner with one Cd(1)Se4 tetrahedra, corners with two equivalent Cd(2)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to one Se(3), one Se(4), and two equivalent Se(1) atoms to form SnSe4 tetrahedra that share  a cornercorner with one Cd(1)Se4 tetrahedra and corners with three equivalent Cd(2)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Cd(2), and one Sn(1) atom. In the second Se site, Se(2) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form corner-sharing SeCd4 tetrahedra. In the third Se site, Se(3) is bonded in a distorted square co-planar geometry to two equivalent K(1), one Cd(1), and one Sn(1) atom. In the fourth Se site, Se(4) is bonded to two equivalent K(2), one Cd(2), and one Sn(1) atom to form distorted SeK2CdSn trigonal pyramids that share  a cornercorner with one Se(2)Cd4 tetrahedra and corners with two equivalent Se(4)K2CdSn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K6Cd4Sn3Se13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.341
_cell_length_b   10.341
_cell_length_c   10.341
_cell_angle_alpha   94.980
_cell_angle_beta   94.980
_cell_angle_gamma   94.980
_symmetry_Int_Tables_number   1
_cell_volume   1092.464
_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  0.795  0.367  0.367  1.0
  K  K1  1  0.367  0.795  0.367  1.0
  K  K2  1  0.367  0.367  0.795  1.0
  K  K3  1  0.998  0.998  0.579  1.0
  K  K4  1  0.579  0.998  0.998  1.0
  K  K5  1  0.998  0.579  0.998  1.0
  Cd  Cd6  1  0.529  0.529  0.529  1.0
  Cd  Cd7  1  0.636  0.636  0.932  1.0
  Cd  Cd8  1  0.636  0.932  0.636  1.0
  Cd  Cd9  1  0.932  0.636  0.636  1.0
  Sn  Sn10  1  0.294  0.754  0.754  1.0
  Sn  Sn11  1  0.754  0.754  0.294  1.0
  Sn  Sn12  1  0.754  0.294  0.754  1.0
  Se  Se13  1  0.973  0.683  0.391  1.0
  Se  Se14  1  0.690  0.690  0.690  1.0
  Se  Se15  1  0.279  0.568  0.568  1.0
  Se  Se16  1  0.568  0.568  0.279  1.0
  Se  Se17  1  0.568  0.279  0.568  1.0
  Se  Se18  1  0.811  0.811  0.070  1.0
  Se  Se19  1  0.811  0.070  0.811  1.0
  Se  Se20  1  0.070  0.811  0.811  1.0
  Se  Se21  1  0.391  0.683  0.973  1.0
  Se  Se22  1  0.683  0.973  0.391  1.0
  Se  Se23  1  0.973  0.391  0.683  1.0
  Se  Se24  1  0.683  0.391  0.973  1.0
  Se  Se25  1  0.391  0.973  0.683  1.0
[/CIF]
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The structure described by K6Cd4Sn3Se13 crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(3) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(4) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Se(2) and three equivalent Se(3) atoms to form CdSe4 tetrahedra that share corners with three equivalent Cd(2)Se4 tetrahedra and corners with three equivalent Sn(1)Se4 tetrahedra. In the second Cd site, Cd(2) is bonded to one Se(2), one Se(4), and two equivalent Se(1) atoms to form CdSe4 tetrahedra that share  a cornercorner with one Cd(1)Se4 tetrahedra, corners with two equivalent Cd(2)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to one Se(3), one Se(4), and two equivalent Se(1) atoms to form SnSe4 tetrahedra that share  a cornercorner with one Cd(1)Se4 tetrahedra and corners with three equivalent Cd(2)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Cd(2), and one Sn(1) atom. In the second Se site, Se(2) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form corner-sharing SeCd4 tetrahedra. In the third Se site, Se(3) is bonded in a distorted square co-planar geometry to two equivalent K(1), one Cd(1), and one Sn(1) atom. In the fourth Se site, Se(4) is bonded to two equivalent K(2), one Cd(2), and one Sn(1) atom to form distorted SeK2CdSn trigonal pyramids that share  a cornercorner with one Se(2)Cd4 tetrahedra and corners with two equivalent Se(4)K2CdSn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K6Cd4Sn3Se13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.341
_cell_length_b   10.341
_cell_length_c   10.341
_cell_angle_alpha   94.980
_cell_angle_beta   94.980
_cell_angle_gamma   94.980
_symmetry_Int_Tables_number   1
_cell_volume   1092.464
_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  0.795  0.367  0.367  1.0
  K  K1  1  0.367  0.795  0.367  1.0
  K  K2  1  0.367  0.367  0.795  1.0
  K  K3  1  0.998  0.998  0.579  1.0
  K  K4  1  0.579  0.998  0.998  1.0
  K  K5  1  0.998  0.579  0.998  1.0
  Cd  Cd6  1  0.529  0.529  0.529  1.0
  Cd  Cd7  1  0.636  0.636  0.932  1.0
  Cd  Cd8  1  0.636  0.932  0.636  1.0
  Cd  Cd9  1  0.932  0.636  0.636  1.0
  Sn  Sn10  1  0.294  0.754  0.754  1.0
  Sn  Sn11  1  0.754  0.754  0.294  1.0
  Sn  Sn12  1  0.754  0.294  0.754  1.0
  Se  Se13  1  0.973  0.683  0.391  1.0
  Se  Se14  1  0.690  0.690  0.690  1.0
  Se  Se15  1  0.279  0.568  0.568  1.0
  Se  Se16  1  0.568  0.568  0.279  1.0
  Se  Se17  1  0.568  0.279  0.568  1.0
  Se  Se18  1  0.811  0.811  0.070  1.0
  Se  Se19  1  0.811  0.070  0.811  1.0
  Se  Se20  1  0.070  0.811  0.811  1.0
  Se  Se21  1  0.391  0.683  0.973  1.0
  Se  Se22  1  0.683  0.973  0.391  1.0
  Se  Se23  1  0.973  0.391  0.683  1.0
  Se  Se24  1  0.683  0.391  0.973  1.0
  Se  Se25  1  0.391  0.973  0.683  1.0
[/CIF]
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