The structure described by K3TaS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), and four equivalent S(1) atoms. Ta(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to two equivalent K(2), three equivalent K(1), and one Ta(1) atom. In the second S site, S(2) is bonded to one K(2), four equivalent K(1), and one Ta(1) atom to form edge-sharing SK5Ta octahedra. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent K(2), four equivalent K(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_K3TaS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.313
_cell_length_b   9.470
_cell_length_c   10.756
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   948.653
_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  0.560  0.287  0.044  1.0
  K  K1  1  0.134  0.422  0.750  1.0
  K  K2  1  0.866  0.578  0.250  1.0
  K  K3  1  0.366  0.922  0.250  1.0
  K  K4  1  0.440  0.713  0.956  1.0
  K  K5  1  0.940  0.787  0.544  1.0
  K  K6  1  0.060  0.213  0.044  1.0
  K  K7  1  0.560  0.287  0.456  1.0
  K  K8  1  0.440  0.713  0.544  1.0
  K  K9  1  0.060  0.213  0.456  1.0
  K  K10  1  0.940  0.787  0.956  1.0
  K  K11  1  0.634  0.078  0.750  1.0
  Ta  Ta12  1  0.713  0.512  0.750  1.0
  Ta  Ta13  1  0.213  0.988  0.750  1.0
  Ta  Ta14  1  0.787  0.012  0.250  1.0
  Ta  Ta15  1  0.287  0.488  0.250  1.0
  S  S16  1  0.167  0.552  0.076  1.0
  S  S17  1  0.667  0.948  0.424  1.0
  S  S18  1  0.333  0.052  0.924  1.0
  S  S19  1  0.833  0.448  0.576  1.0
  S  S20  1  0.833  0.448  0.924  1.0
  S  S21  1  0.333  0.052  0.576  1.0
  S  S22  1  0.667  0.948  0.076  1.0
  S  S23  1  0.167  0.552  0.424  1.0
  S  S24  1  0.689  0.751  0.750  1.0
  S  S25  1  0.189  0.749  0.750  1.0
  S  S26  1  0.811  0.251  0.250  1.0
  S  S27  1  0.311  0.249  0.250  1.0
  S  S28  1  0.490  0.412  0.750  1.0
  S  S29  1  0.510  0.588  0.250  1.0
  S  S30  1  0.010  0.912  0.250  1.0
  S  S31  1  0.990  0.088  0.750  1.0
[/CIF]
.
The structure described by K3TaS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), and four equivalent S(1) atoms. Ta(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to two equivalent K(2), three equivalent K(1), and one Ta(1) atom. In the second S site, S(2) is bonded to one K(2), four equivalent K(1), and one Ta(1) atom to form edge-sharing SK5Ta octahedra. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent K(2), four equivalent K(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_K3TaS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.313
_cell_length_b   9.470
_cell_length_c   10.756
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   948.653
_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  0.560  0.287  0.044  1.0
  K  K1  1  0.134  0.422  0.750  1.0
  K  K2  1  0.866  0.578  0.250  1.0
  K  K3  1  0.366  0.922  0.250  1.0
  K  K4  1  0.440  0.713  0.956  1.0
  K  K5  1  0.940  0.787  0.544  1.0
  K  K6  1  0.060  0.213  0.044  1.0
  K  K7  1  0.560  0.287  0.456  1.0
  K  K8  1  0.440  0.713  0.544  1.0
  K  K9  1  0.060  0.213  0.456  1.0
  K  K10  1  0.940  0.787  0.956  1.0
  K  K11  1  0.634  0.078  0.750  1.0
  Ta  Ta12  1  0.713  0.512  0.750  1.0
  Ta  Ta13  1  0.213  0.988  0.750  1.0
  Ta  Ta14  1  0.787  0.012  0.250  1.0
  Ta  Ta15  1  0.287  0.488  0.250  1.0
  S  S16  1  0.167  0.552  0.076  1.0
  S  S17  1  0.667  0.948  0.424  1.0
  S  S18  1  0.333  0.052  0.924  1.0
  S  S19  1  0.833  0.448  0.576  1.0
  S  S20  1  0.833  0.448  0.924  1.0
  S  S21  1  0.333  0.052  0.576  1.0
  S  S22  1  0.667  0.948  0.076  1.0
  S  S23  1  0.167  0.552  0.424  1.0
  S  S24  1  0.689  0.751  0.750  1.0
  S  S25  1  0.189  0.749  0.750  1.0
  S  S26  1  0.811  0.251  0.250  1.0
  S  S27  1  0.311  0.249  0.250  1.0
  S  S28  1  0.490  0.412  0.750  1.0
  S  S29  1  0.510  0.588  0.250  1.0
  S  S30  1  0.010  0.912  0.250  1.0
  S  S31  1  0.990  0.088  0.750  1.0
[/CIF]
.