The crystal structure described by K3Nd3(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(3), one S(5), one S(6), one S(8), two equivalent S(2), and two equivalent S(4) atoms. In the second K site, K(2) is bonded in a body-centered cubic geometry to two equivalent S(3), two equivalent S(5), two equivalent S(7), and two equivalent S(8) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(5), two equivalent S(6), and two equivalent S(8) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(2), one S(3), one S(4), one S(6), two equivalent S(1), 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(2), one S(6), one S(7), and one S(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(1), one S(3), one S(4), and one S(5) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one P(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(2), and one P(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Nd(2), and one P(2) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Nd(2), and one P(2) atom. In the fifth S site, S(5) is bonded to one K(1), one K(2), one Nd(1), and one P(2) atom to form distorted SK2NdP trigonal pyramids that share  a cornercorner with one S(6)KNd2P trigonal pyramid, corners with two equivalent S(5)K2NdP trigonal pyramids, and  an edgeedge with one S(6)KNd2P trigonal pyramid. In the sixth S site, S(6) is bonded to one K(1), one Nd(1), one Nd(2), and one P(1) atom to form distorted SKNd2P trigonal pyramids that share  a cornercorner with one S(5)K2NdP trigonal pyramid,  a cornercorner with one S(6)KNd2P trigonal pyramid, and  an edgeedge with one S(5)K2NdP trigonal pyramid. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one K(2), two equivalent Nd(2), and one P(1) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Nd(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K3Nd3(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.111
_cell_length_b   10.111
_cell_length_c   15.036
_cell_angle_alpha   89.342
_cell_angle_beta   89.342
_cell_angle_gamma   71.817
_symmetry_Int_Tables_number   1
_cell_volume   1460.358
_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  0.971  0.608  0.338  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  K  K2  1  0.608  0.971  0.838  1.0
  K  K3  1  0.029  0.392  0.662  1.0
  K  K4  1  0.392  0.029  0.162  1.0
  K  K5  1  0.000  0.000  0.500  1.0
  Nd  Nd6  1  0.749  0.251  0.250  1.0
  Nd  Nd7  1  0.251  0.749  0.750  1.0
  Nd  Nd8  1  0.513  0.748  0.488  1.0
  Nd  Nd9  1  0.487  0.252  0.512  1.0
  Nd  Nd10  1  0.252  0.487  0.012  1.0
  Nd  Nd11  1  0.748  0.513  0.988  1.0
  P  P12  1  0.037  0.332  0.140  1.0
  P  P13  1  0.765  0.397  0.476  1.0
  P  P14  1  0.332  0.037  0.640  1.0
  P  P15  1  0.963  0.668  0.860  1.0
  P  P16  1  0.235  0.603  0.524  1.0
  P  P17  1  0.603  0.235  0.024  1.0
  P  P18  1  0.668  0.963  0.360  1.0
  P  P19  1  0.397  0.765  0.976  1.0
  S  S20  1  0.454  0.586  0.898  1.0
  S  S21  1  0.600  0.807  0.313  1.0
  S  S22  1  0.255  0.728  0.420  1.0
  S  S23  1  0.209  0.424  0.476  1.0
  S  S24  1  0.414  0.546  0.602  1.0
  S  S25  1  0.295  0.925  0.893  1.0
  S  S26  1  0.156  0.526  0.829  1.0
  S  S27  1  0.053  0.319  0.003  1.0
  S  S28  1  0.844  0.474  0.171  1.0
  S  S29  1  0.474  0.844  0.671  1.0
  S  S30  1  0.807  0.600  0.813  1.0
  S  S31  1  0.041  0.145  0.194  1.0
  S  S32  1  0.959  0.855  0.806  1.0
  S  S33  1  0.681  0.947  0.497  1.0
  S  S34  1  0.526  0.156  0.329  1.0
  S  S35  1  0.791  0.576  0.524  1.0
  S  S36  1  0.546  0.414  0.102  1.0
  S  S37  1  0.424  0.209  0.976  1.0
  S  S38  1  0.075  0.705  0.607  1.0
  S  S39  1  0.193  0.400  0.187  1.0
  S  S40  1  0.947  0.681  0.997  1.0
  S  S41  1  0.705  0.075  0.107  1.0
  S  S42  1  0.925  0.295  0.393  1.0
  S  S43  1  0.145  0.041  0.694  1.0
  S  S44  1  0.745  0.272  0.580  1.0
  S  S45  1  0.586  0.454  0.398  1.0
  S  S46  1  0.400  0.193  0.687  1.0
  S  S47  1  0.272  0.745  0.080  1.0
  S  S48  1  0.728  0.255  0.920  1.0
  S  S49  1  0.319  0.053  0.503  1.0
  S  S50  1  0.855  0.959  0.306  1.0
  S  S51  1  0.576  0.791  0.024  1.0
[/CIF]
.
The crystal structure described by K3Nd3(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(3), one S(5), one S(6), one S(8), two equivalent S(2), and two equivalent S(4) atoms. In the second K site, K(2) is bonded in a body-centered cubic geometry to two equivalent S(3), two equivalent S(5), two equivalent S(7), and two equivalent S(8) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(5), two equivalent S(6), and two equivalent S(8) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(2), one S(3), one S(4), one S(6), two equivalent S(1), 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(2), one S(6), one S(7), and one S(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(1), one S(3), one S(4), and one S(5) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one P(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(2), and one P(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Nd(2), and one P(2) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Nd(2), and one P(2) atom. In the fifth S site, S(5) is bonded to one K(1), one K(2), one Nd(1), and one P(2) atom to form distorted SK2NdP trigonal pyramids that share  a cornercorner with one S(6)KNd2P trigonal pyramid, corners with two equivalent S(5)K2NdP trigonal pyramids, and  an edgeedge with one S(6)KNd2P trigonal pyramid. In the sixth S site, S(6) is bonded to one K(1), one Nd(1), one Nd(2), and one P(1) atom to form distorted SKNd2P trigonal pyramids that share  a cornercorner with one S(5)K2NdP trigonal pyramid,  a cornercorner with one S(6)KNd2P trigonal pyramid, and  an edgeedge with one S(5)K2NdP trigonal pyramid. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one K(2), two equivalent Nd(2), and one P(1) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Nd(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K3Nd3(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.111
_cell_length_b   10.111
_cell_length_c   15.036
_cell_angle_alpha   89.342
_cell_angle_beta   89.342
_cell_angle_gamma   71.817
_symmetry_Int_Tables_number   1
_cell_volume   1460.358
_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  0.971  0.608  0.338  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  K  K2  1  0.608  0.971  0.838  1.0
  K  K3  1  0.029  0.392  0.662  1.0
  K  K4  1  0.392  0.029  0.162  1.0
  K  K5  1  0.000  0.000  0.500  1.0
  Nd  Nd6  1  0.749  0.251  0.250  1.0
  Nd  Nd7  1  0.251  0.749  0.750  1.0
  Nd  Nd8  1  0.513  0.748  0.488  1.0
  Nd  Nd9  1  0.487  0.252  0.512  1.0
  Nd  Nd10  1  0.252  0.487  0.012  1.0
  Nd  Nd11  1  0.748  0.513  0.988  1.0
  P  P12  1  0.037  0.332  0.140  1.0
  P  P13  1  0.765  0.397  0.476  1.0
  P  P14  1  0.332  0.037  0.640  1.0
  P  P15  1  0.963  0.668  0.860  1.0
  P  P16  1  0.235  0.603  0.524  1.0
  P  P17  1  0.603  0.235  0.024  1.0
  P  P18  1  0.668  0.963  0.360  1.0
  P  P19  1  0.397  0.765  0.976  1.0
  S  S20  1  0.454  0.586  0.898  1.0
  S  S21  1  0.600  0.807  0.313  1.0
  S  S22  1  0.255  0.728  0.420  1.0
  S  S23  1  0.209  0.424  0.476  1.0
  S  S24  1  0.414  0.546  0.602  1.0
  S  S25  1  0.295  0.925  0.893  1.0
  S  S26  1  0.156  0.526  0.829  1.0
  S  S27  1  0.053  0.319  0.003  1.0
  S  S28  1  0.844  0.474  0.171  1.0
  S  S29  1  0.474  0.844  0.671  1.0
  S  S30  1  0.807  0.600  0.813  1.0
  S  S31  1  0.041  0.145  0.194  1.0
  S  S32  1  0.959  0.855  0.806  1.0
  S  S33  1  0.681  0.947  0.497  1.0
  S  S34  1  0.526  0.156  0.329  1.0
  S  S35  1  0.791  0.576  0.524  1.0
  S  S36  1  0.546  0.414  0.102  1.0
  S  S37  1  0.424  0.209  0.976  1.0
  S  S38  1  0.075  0.705  0.607  1.0
  S  S39  1  0.193  0.400  0.187  1.0
  S  S40  1  0.947  0.681  0.997  1.0
  S  S41  1  0.705  0.075  0.107  1.0
  S  S42  1  0.925  0.295  0.393  1.0
  S  S43  1  0.145  0.041  0.694  1.0
  S  S44  1  0.745  0.272  0.580  1.0
  S  S45  1  0.586  0.454  0.398  1.0
  S  S46  1  0.400  0.193  0.687  1.0
  S  S47  1  0.272  0.745  0.080  1.0
  S  S48  1  0.728  0.255  0.920  1.0
  S  S49  1  0.319  0.053  0.503  1.0
  S  S50  1  0.855  0.959  0.306  1.0
  S  S51  1  0.576  0.791  0.024  1.0
[/CIF]
.