The material structure described by K2Fe(PS3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. Fe(1) is bonded in an octahedral geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. P(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Fe(1), and one P(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Fe(1), and one P(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent K(1), one Fe(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Fe(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.495
_cell_length_b   6.051
_cell_length_c   8.706
_cell_angle_alpha   59.711
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   568.343
_cell_formula_units_Z   2
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  0.190  0.661  0.042  1.0
  K  K1  1  0.690  0.339  0.458  1.0
  K  K2  1  0.810  0.339  0.958  1.0
  K  K3  1  0.310  0.661  0.542  1.0
  Fe  Fe4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.026  0.347  0.635  1.0
  P  P7  1  0.974  0.653  0.365  1.0
  P  P8  1  0.474  0.347  0.135  1.0
  P  P9  1  0.526  0.653  0.865  1.0
  S  S10  1  0.906  0.085  0.726  1.0
  S  S11  1  0.406  0.915  0.774  1.0
  S  S12  1  0.344  0.182  0.092  1.0
  S  S13  1  0.156  0.182  0.592  1.0
  S  S14  1  0.844  0.818  0.408  1.0
  S  S15  1  0.656  0.818  0.908  1.0
  S  S16  1  0.550  0.443  0.744  1.0
  S  S17  1  0.050  0.557  0.756  1.0
  S  S18  1  0.450  0.557  0.256  1.0
  S  S19  1  0.950  0.443  0.244  1.0
  S  S20  1  0.594  0.085  0.226  1.0
  S  S21  1  0.094  0.915  0.274  1.0
[/CIF]
.
The material structure described by K2Fe(PS3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. Fe(1) is bonded in an octahedral geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. P(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Fe(1), and one P(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Fe(1), and one P(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent K(1), one Fe(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Fe(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.495
_cell_length_b   6.051
_cell_length_c   8.706
_cell_angle_alpha   59.711
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   568.343
_cell_formula_units_Z   2
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  0.190  0.661  0.042  1.0
  K  K1  1  0.690  0.339  0.458  1.0
  K  K2  1  0.810  0.339  0.958  1.0
  K  K3  1  0.310  0.661  0.542  1.0
  Fe  Fe4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.026  0.347  0.635  1.0
  P  P7  1  0.974  0.653  0.365  1.0
  P  P8  1  0.474  0.347  0.135  1.0
  P  P9  1  0.526  0.653  0.865  1.0
  S  S10  1  0.906  0.085  0.726  1.0
  S  S11  1  0.406  0.915  0.774  1.0
  S  S12  1  0.344  0.182  0.092  1.0
  S  S13  1  0.156  0.182  0.592  1.0
  S  S14  1  0.844  0.818  0.408  1.0
  S  S15  1  0.656  0.818  0.908  1.0
  S  S16  1  0.550  0.443  0.744  1.0
  S  S17  1  0.050  0.557  0.756  1.0
  S  S18  1  0.450  0.557  0.256  1.0
  S  S19  1  0.950  0.443  0.244  1.0
  S  S20  1  0.594  0.085  0.226  1.0
  S  S21  1  0.094  0.915  0.274  1.0
[/CIF]
.