The material structure described by K2Cd3S4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted KS6 octahedra that share corners with four equivalent Cd(2)S4 tetrahedra, corners with eight equivalent Cd(1)S4 tetrahedra, edges with two equivalent K(1)S6 octahedra, edges with four equivalent K(2)S6 octahedra,  an edgeedge with one Cd(2)S4 tetrahedra, and edges with two equivalent Cd(1)S4 tetrahedra. In the second K site, K(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted KS6 octahedra that share corners with two equivalent Cd(2)S4 tetrahedra, corners with eight equivalent Cd(1)S4 tetrahedra, edges with two equivalent K(2)S6 octahedra, edges with four equivalent K(1)S6 octahedra, edges with two equivalent Cd(1)S4 tetrahedra, and edges with two equivalent Cd(2)S4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CdS4 tetrahedra that share corners with four equivalent K(1)S6 octahedra, corners with four equivalent K(2)S6 octahedra, corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Cd(2)S4 tetrahedra,  an edgeedge with one K(1)S6 octahedra,  an edgeedge with one K(2)S6 octahedra,  an edgeedge with one Cd(1)S4 tetrahedra, and  an edgeedge with one Cd(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-92°. In the second Cd site, Cd(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CdS4 tetrahedra that share corners with two equivalent K(2)S6 octahedra, corners with four equivalent K(1)S6 octahedra, corners with four equivalent Cd(1)S4 tetrahedra,  an edgeedge with one K(1)S6 octahedra, edges with two equivalent K(2)S6 octahedra, and edges with two equivalent Cd(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-96°. There are three inequivalent S sites. In the first S site, S(3) is bonded to one K(1), two equivalent K(2), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing SK3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the second S site, S(1) is bonded to one K(2), two equivalent K(1), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing SK3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the third S site, S(2) is bonded to one K(1), two equivalent K(2), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing SK3Cd3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 19-90°. is represented by the CIF card [CIF]
data_K2Cd3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.692
_cell_length_b   10.259
_cell_length_c   13.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   954.789
_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  0.017  0.250  0.531  1.0
  K  K1  1  0.517  0.750  0.969  1.0
  K  K2  1  0.983  0.750  0.469  1.0
  K  K3  1  0.483  0.250  0.031  1.0
  K  K4  1  0.000  0.000  0.000  1.0
  K  K5  1  0.500  0.500  0.500  1.0
  K  K6  1  0.000  0.500  0.000  1.0
  K  K7  1  0.500  0.000  0.500  1.0
  Cd  Cd8  1  0.345  0.092  0.748  1.0
  Cd  Cd9  1  0.845  0.908  0.752  1.0
  Cd  Cd10  1  0.655  0.592  0.252  1.0
  Cd  Cd11  1  0.155  0.408  0.248  1.0
  Cd  Cd12  1  0.655  0.908  0.252  1.0
  Cd  Cd13  1  0.155  0.092  0.248  1.0
  Cd  Cd14  1  0.345  0.408  0.748  1.0
  Cd  Cd15  1  0.845  0.592  0.752  1.0
  Cd  Cd16  1  0.715  0.250  0.296  1.0
  Cd  Cd17  1  0.215  0.750  0.204  1.0
  Cd  Cd18  1  0.285  0.750  0.704  1.0
  Cd  Cd19  1  0.785  0.250  0.796  1.0
  S  S20  1  0.625  0.032  0.865  1.0
  S  S21  1  0.125  0.968  0.635  1.0
  S  S22  1  0.375  0.532  0.135  1.0
  S  S23  1  0.875  0.468  0.365  1.0
  S  S24  1  0.375  0.968  0.135  1.0
  S  S25  1  0.875  0.032  0.365  1.0
  S  S26  1  0.625  0.468  0.865  1.0
  S  S27  1  0.125  0.532  0.635  1.0
  S  S28  1  0.925  0.250  0.142  1.0
  S  S29  1  0.425  0.750  0.358  1.0
  S  S30  1  0.075  0.750  0.858  1.0
  S  S31  1  0.575  0.250  0.642  1.0
  S  S32  1  0.862  0.750  0.145  1.0
  S  S33  1  0.638  0.750  0.645  1.0
  S  S34  1  0.138  0.250  0.855  1.0
  S  S35  1  0.362  0.250  0.355  1.0
[/CIF]
.
The material structure described by K2Cd3S4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted KS6 octahedra that share corners with four equivalent Cd(2)S4 tetrahedra, corners with eight equivalent Cd(1)S4 tetrahedra, edges with two equivalent K(1)S6 octahedra, edges with four equivalent K(2)S6 octahedra,  an edgeedge with one Cd(2)S4 tetrahedra, and edges with two equivalent Cd(1)S4 tetrahedra. In the second K site, K(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted KS6 octahedra that share corners with two equivalent Cd(2)S4 tetrahedra, corners with eight equivalent Cd(1)S4 tetrahedra, edges with two equivalent K(2)S6 octahedra, edges with four equivalent K(1)S6 octahedra, edges with two equivalent Cd(1)S4 tetrahedra, and edges with two equivalent Cd(2)S4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CdS4 tetrahedra that share corners with four equivalent K(1)S6 octahedra, corners with four equivalent K(2)S6 octahedra, corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Cd(2)S4 tetrahedra,  an edgeedge with one K(1)S6 octahedra,  an edgeedge with one K(2)S6 octahedra,  an edgeedge with one Cd(1)S4 tetrahedra, and  an edgeedge with one Cd(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-92°. In the second Cd site, Cd(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CdS4 tetrahedra that share corners with two equivalent K(2)S6 octahedra, corners with four equivalent K(1)S6 octahedra, corners with four equivalent Cd(1)S4 tetrahedra,  an edgeedge with one K(1)S6 octahedra, edges with two equivalent K(2)S6 octahedra, and edges with two equivalent Cd(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-96°. There are three inequivalent S sites. In the first S site, S(3) is bonded to one K(1), two equivalent K(2), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing SK3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the second S site, S(1) is bonded to one K(2), two equivalent K(1), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing SK3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the third S site, S(2) is bonded to one K(1), two equivalent K(2), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing SK3Cd3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 19-90°. is represented by the CIF card [CIF]
data_K2Cd3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.692
_cell_length_b   10.259
_cell_length_c   13.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   954.789
_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  0.017  0.250  0.531  1.0
  K  K1  1  0.517  0.750  0.969  1.0
  K  K2  1  0.983  0.750  0.469  1.0
  K  K3  1  0.483  0.250  0.031  1.0
  K  K4  1  0.000  0.000  0.000  1.0
  K  K5  1  0.500  0.500  0.500  1.0
  K  K6  1  0.000  0.500  0.000  1.0
  K  K7  1  0.500  0.000  0.500  1.0
  Cd  Cd8  1  0.345  0.092  0.748  1.0
  Cd  Cd9  1  0.845  0.908  0.752  1.0
  Cd  Cd10  1  0.655  0.592  0.252  1.0
  Cd  Cd11  1  0.155  0.408  0.248  1.0
  Cd  Cd12  1  0.655  0.908  0.252  1.0
  Cd  Cd13  1  0.155  0.092  0.248  1.0
  Cd  Cd14  1  0.345  0.408  0.748  1.0
  Cd  Cd15  1  0.845  0.592  0.752  1.0
  Cd  Cd16  1  0.715  0.250  0.296  1.0
  Cd  Cd17  1  0.215  0.750  0.204  1.0
  Cd  Cd18  1  0.285  0.750  0.704  1.0
  Cd  Cd19  1  0.785  0.250  0.796  1.0
  S  S20  1  0.625  0.032  0.865  1.0
  S  S21  1  0.125  0.968  0.635  1.0
  S  S22  1  0.375  0.532  0.135  1.0
  S  S23  1  0.875  0.468  0.365  1.0
  S  S24  1  0.375  0.968  0.135  1.0
  S  S25  1  0.875  0.032  0.365  1.0
  S  S26  1  0.625  0.468  0.865  1.0
  S  S27  1  0.125  0.532  0.635  1.0
  S  S28  1  0.925  0.250  0.142  1.0
  S  S29  1  0.425  0.750  0.358  1.0
  S  S30  1  0.075  0.750  0.858  1.0
  S  S31  1  0.575  0.250  0.642  1.0
  S  S32  1  0.862  0.750  0.145  1.0
  S  S33  1  0.638  0.750  0.645  1.0
  S  S34  1  0.138  0.250  0.855  1.0
  S  S35  1  0.362  0.250  0.355  1.0
[/CIF]
.