The compound described by K3Gd3(PS4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(4), one S(5), two equivalent S(6), and two equivalent S(8) atoms. In the second K site, K(2) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(6), one S(8), two equivalent S(2), and two equivalent S(7) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to two equivalent S(3), two equivalent S(4), two equivalent S(5), and two equivalent S(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one S(1), one S(5), one S(7), and one S(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(2), one S(3), one S(4), and one S(6) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one P(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one K(2), two equivalent Gd(1), and one P(2) atom. In the third S site, S(3) is bonded to one K(1), one Gd(1), one Gd(2), and one P(2) atom to form distorted SKGd2P trigonal pyramids that share  a cornercorner with one S(5)K2GdP trigonal pyramid,  a cornercorner with one S(3)KGd2P trigonal pyramid, and  an edgeedge with one S(5)K2GdP trigonal pyramid. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one Gd(2), and one P(2) atom. In the fifth S site, S(5) is bonded to one K(1), one K(2), one Gd(2), and one P(1) atom to form distorted SK2GdP trigonal pyramids that share  a cornercorner with one S(3)KGd2P trigonal pyramid, corners with two equivalent S(5)K2GdP trigonal pyramids, and  an edgeedge with one S(3)KGd2P trigonal pyramid. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Gd(1), and one P(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Gd(2), two equivalent Gd(1), and one P(1) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Gd(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K3Gd3(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.032
_cell_length_b   10.032
_cell_length_c   14.747
_cell_angle_alpha   89.229
_cell_angle_beta   89.229
_cell_angle_gamma   72.012
_symmetry_Int_Tables_number   1
_cell_volume   1411.506
_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  0.028  0.388  0.163  1.0
  K  K1  1  0.612  0.972  0.337  1.0
  K  K2  1  0.388  0.028  0.663  1.0
  K  K3  1  0.000  0.000  0.000  1.0
  K  K4  1  0.972  0.612  0.837  1.0
  K  K5  1  0.000  0.000  0.500  1.0
  Gd  Gd6  1  0.254  0.486  0.512  1.0
  Gd  Gd7  1  0.746  0.514  0.488  1.0
  Gd  Gd8  1  0.486  0.254  0.012  1.0
  Gd  Gd9  1  0.249  0.751  0.250  1.0
  Gd  Gd10  1  0.751  0.249  0.750  1.0
  Gd  Gd11  1  0.514  0.746  0.988  1.0
  P  P12  1  0.237  0.601  0.023  1.0
  P  P13  1  0.763  0.399  0.977  1.0
  P  P14  1  0.399  0.763  0.477  1.0
  P  P15  1  0.961  0.668  0.361  1.0
  P  P16  1  0.668  0.961  0.861  1.0
  P  P17  1  0.601  0.237  0.523  1.0
  P  P18  1  0.039  0.332  0.639  1.0
  P  P19  1  0.332  0.039  0.139  1.0
  S  S20  1  0.270  0.741  0.581  1.0
  S  S21  1  0.322  0.053  1.000  1.0
  S  S22  1  0.843  0.472  0.671  1.0
  S  S23  1  0.053  0.322  0.500  1.0
  S  S24  1  0.730  0.259  0.419  1.0
  S  S25  1  0.144  0.039  0.195  1.0
  S  S26  1  0.528  0.157  0.829  1.0
  S  S27  1  0.297  0.924  0.393  1.0
  S  S28  1  0.961  0.856  0.305  1.0
  S  S29  1  0.157  0.528  0.329  1.0
  S  S30  1  0.402  0.194  0.187  1.0
  S  S31  1  0.416  0.545  0.104  1.0
  S  S32  1  0.455  0.584  0.396  1.0
  S  S33  1  0.856  0.961  0.805  1.0
  S  S34  1  0.259  0.730  0.919  1.0
  S  S35  1  0.703  0.076  0.607  1.0
  S  S36  1  0.947  0.678  0.500  1.0
  S  S37  1  0.678  0.947  0.000  1.0
  S  S38  1  0.924  0.297  0.893  1.0
  S  S39  1  0.806  0.598  0.313  1.0
  S  S40  1  0.212  0.421  0.974  1.0
  S  S41  1  0.579  0.788  0.526  1.0
  S  S42  1  0.076  0.703  0.107  1.0
  S  S43  1  0.421  0.212  0.474  1.0
  S  S44  1  0.039  0.144  0.695  1.0
  S  S45  1  0.598  0.806  0.813  1.0
  S  S46  1  0.584  0.455  0.896  1.0
  S  S47  1  0.545  0.416  0.604  1.0
  S  S48  1  0.472  0.843  0.171  1.0
  S  S49  1  0.741  0.270  0.081  1.0
  S  S50  1  0.788  0.579  0.026  1.0
  S  S51  1  0.194  0.402  0.687  1.0
[/CIF]
.
The compound described by K3Gd3(PS4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(4), one S(5), two equivalent S(6), and two equivalent S(8) atoms. In the second K site, K(2) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(6), one S(8), two equivalent S(2), and two equivalent S(7) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to two equivalent S(3), two equivalent S(4), two equivalent S(5), and two equivalent S(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one S(1), one S(5), one S(7), and one S(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(2), one S(3), one S(4), and one S(6) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one P(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one K(2), two equivalent Gd(1), and one P(2) atom. In the third S site, S(3) is bonded to one K(1), one Gd(1), one Gd(2), and one P(2) atom to form distorted SKGd2P trigonal pyramids that share  a cornercorner with one S(5)K2GdP trigonal pyramid,  a cornercorner with one S(3)KGd2P trigonal pyramid, and  an edgeedge with one S(5)K2GdP trigonal pyramid. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one Gd(2), and one P(2) atom. In the fifth S site, S(5) is bonded to one K(1), one K(2), one Gd(2), and one P(1) atom to form distorted SK2GdP trigonal pyramids that share  a cornercorner with one S(3)KGd2P trigonal pyramid, corners with two equivalent S(5)K2GdP trigonal pyramids, and  an edgeedge with one S(3)KGd2P trigonal pyramid. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Gd(1), and one P(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Gd(2), two equivalent Gd(1), and one P(1) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Gd(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K3Gd3(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.032
_cell_length_b   10.032
_cell_length_c   14.747
_cell_angle_alpha   89.229
_cell_angle_beta   89.229
_cell_angle_gamma   72.012
_symmetry_Int_Tables_number   1
_cell_volume   1411.506
_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  0.028  0.388  0.163  1.0
  K  K1  1  0.612  0.972  0.337  1.0
  K  K2  1  0.388  0.028  0.663  1.0
  K  K3  1  0.000  0.000  0.000  1.0
  K  K4  1  0.972  0.612  0.837  1.0
  K  K5  1  0.000  0.000  0.500  1.0
  Gd  Gd6  1  0.254  0.486  0.512  1.0
  Gd  Gd7  1  0.746  0.514  0.488  1.0
  Gd  Gd8  1  0.486  0.254  0.012  1.0
  Gd  Gd9  1  0.249  0.751  0.250  1.0
  Gd  Gd10  1  0.751  0.249  0.750  1.0
  Gd  Gd11  1  0.514  0.746  0.988  1.0
  P  P12  1  0.237  0.601  0.023  1.0
  P  P13  1  0.763  0.399  0.977  1.0
  P  P14  1  0.399  0.763  0.477  1.0
  P  P15  1  0.961  0.668  0.361  1.0
  P  P16  1  0.668  0.961  0.861  1.0
  P  P17  1  0.601  0.237  0.523  1.0
  P  P18  1  0.039  0.332  0.639  1.0
  P  P19  1  0.332  0.039  0.139  1.0
  S  S20  1  0.270  0.741  0.581  1.0
  S  S21  1  0.322  0.053  1.000  1.0
  S  S22  1  0.843  0.472  0.671  1.0
  S  S23  1  0.053  0.322  0.500  1.0
  S  S24  1  0.730  0.259  0.419  1.0
  S  S25  1  0.144  0.039  0.195  1.0
  S  S26  1  0.528  0.157  0.829  1.0
  S  S27  1  0.297  0.924  0.393  1.0
  S  S28  1  0.961  0.856  0.305  1.0
  S  S29  1  0.157  0.528  0.329  1.0
  S  S30  1  0.402  0.194  0.187  1.0
  S  S31  1  0.416  0.545  0.104  1.0
  S  S32  1  0.455  0.584  0.396  1.0
  S  S33  1  0.856  0.961  0.805  1.0
  S  S34  1  0.259  0.730  0.919  1.0
  S  S35  1  0.703  0.076  0.607  1.0
  S  S36  1  0.947  0.678  0.500  1.0
  S  S37  1  0.678  0.947  0.000  1.0
  S  S38  1  0.924  0.297  0.893  1.0
  S  S39  1  0.806  0.598  0.313  1.0
  S  S40  1  0.212  0.421  0.974  1.0
  S  S41  1  0.579  0.788  0.526  1.0
  S  S42  1  0.076  0.703  0.107  1.0
  S  S43  1  0.421  0.212  0.474  1.0
  S  S44  1  0.039  0.144  0.695  1.0
  S  S45  1  0.598  0.806  0.813  1.0
  S  S46  1  0.584  0.455  0.896  1.0
  S  S47  1  0.545  0.416  0.604  1.0
  S  S48  1  0.472  0.843  0.171  1.0
  S  S49  1  0.741  0.270  0.081  1.0
  S  S50  1  0.788  0.579  0.026  1.0
  S  S51  1  0.194  0.402  0.687  1.0
[/CIF]
.