The compound described by K8La(PS4)4 crystallizes in the orthorhombic I222 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(4), and four equivalent S(3) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent S(4) and four equivalent S(3) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one S(3), one S(4), three equivalent S(1), and three equivalent S(2) atoms. La(1) is bonded to four equivalent S(1) and four equivalent S(4) atoms to form distorted LaS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. P(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form PS4 tetrahedra that share  an edgeedge with one La(1)S8 hexagonal bipyramid. There are four inequivalent S sites. In the first S site, S(3) is bonded in a 6-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(2), and one P(1) atom. In the second S site, S(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one La(1), and one P(1) atom. In the third S site, S(1) is bonded in a 5-coordinate geometry to three equivalent K(3), one La(1), and one P(1) atom. In the fourth S site, S(2) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(3), and one P(1) atom. is represented by the CIF file [CIF]
data_K8La(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.345
_cell_length_b   11.345
_cell_length_c   11.345
_cell_angle_alpha   133.524
_cell_angle_beta   128.560
_cell_angle_gamma   71.820
_symmetry_Int_Tables_number   1
_cell_volume   810.048
_cell_formula_units_Z   1
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  0.255  0.755  0.500  1.0
  K  K1  1  0.745  0.245  0.500  1.0
  K  K2  1  0.234  0.234  0.000  1.0
  K  K3  1  0.766  0.766  0.000  1.0
  K  K4  1  0.322  0.712  0.874  1.0
  K  K5  1  0.162  0.288  0.610  1.0
  K  K6  1  0.678  0.552  0.390  1.0
  K  K7  1  0.838  0.448  0.126  1.0
  La  La8  1  0.500  0.000  0.500  1.0
  P  P9  1  0.619  0.080  0.952  1.0
  P  P10  1  0.872  0.920  0.539  1.0
  P  P11  1  0.381  0.333  0.461  1.0
  P  P12  1  0.128  0.667  0.048  1.0
  S  S13  1  0.502  0.219  0.871  1.0
  S  S14  1  0.652  0.781  0.283  1.0
  S  S15  1  0.498  0.369  0.717  1.0
  S  S16  1  0.348  0.631  0.129  1.0
  S  S17  1  0.998  0.778  0.608  1.0
  S  S18  1  0.830  0.222  0.220  1.0
  S  S19  1  0.002  0.610  0.780  1.0
  S  S20  1  0.170  0.390  0.392  1.0
  S  S21  1  0.508  0.011  0.992  1.0
  S  S22  1  0.981  0.989  0.497  1.0
  S  S23  1  0.492  0.484  0.503  1.0
  S  S24  1  0.019  0.516  0.008  1.0
  S  S25  1  0.159  0.912  0.284  1.0
  S  S26  1  0.372  0.088  0.247  1.0
  S  S27  1  0.841  0.125  0.753  1.0
  S  S28  1  0.628  0.875  0.716  1.0
[/CIF]
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The compound described by K8La(PS4)4 crystallizes in the orthorhombic I222 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(4), and four equivalent S(3) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent S(4) and four equivalent S(3) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one S(3), one S(4), three equivalent S(1), and three equivalent S(2) atoms. La(1) is bonded to four equivalent S(1) and four equivalent S(4) atoms to form distorted LaS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. P(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form PS4 tetrahedra that share  an edgeedge with one La(1)S8 hexagonal bipyramid. There are four inequivalent S sites. In the first S site, S(3) is bonded in a 6-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(2), and one P(1) atom. In the second S site, S(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one La(1), and one P(1) atom. In the third S site, S(1) is bonded in a 5-coordinate geometry to three equivalent K(3), one La(1), and one P(1) atom. In the fourth S site, S(2) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(3), and one P(1) atom. is represented by the CIF file [CIF]
data_K8La(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.345
_cell_length_b   11.345
_cell_length_c   11.345
_cell_angle_alpha   133.524
_cell_angle_beta   128.560
_cell_angle_gamma   71.820
_symmetry_Int_Tables_number   1
_cell_volume   810.048
_cell_formula_units_Z   1
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  0.255  0.755  0.500  1.0
  K  K1  1  0.745  0.245  0.500  1.0
  K  K2  1  0.234  0.234  0.000  1.0
  K  K3  1  0.766  0.766  0.000  1.0
  K  K4  1  0.322  0.712  0.874  1.0
  K  K5  1  0.162  0.288  0.610  1.0
  K  K6  1  0.678  0.552  0.390  1.0
  K  K7  1  0.838  0.448  0.126  1.0
  La  La8  1  0.500  0.000  0.500  1.0
  P  P9  1  0.619  0.080  0.952  1.0
  P  P10  1  0.872  0.920  0.539  1.0
  P  P11  1  0.381  0.333  0.461  1.0
  P  P12  1  0.128  0.667  0.048  1.0
  S  S13  1  0.502  0.219  0.871  1.0
  S  S14  1  0.652  0.781  0.283  1.0
  S  S15  1  0.498  0.369  0.717  1.0
  S  S16  1  0.348  0.631  0.129  1.0
  S  S17  1  0.998  0.778  0.608  1.0
  S  S18  1  0.830  0.222  0.220  1.0
  S  S19  1  0.002  0.610  0.780  1.0
  S  S20  1  0.170  0.390  0.392  1.0
  S  S21  1  0.508  0.011  0.992  1.0
  S  S22  1  0.981  0.989  0.497  1.0
  S  S23  1  0.492  0.484  0.503  1.0
  S  S24  1  0.019  0.516  0.008  1.0
  S  S25  1  0.159  0.912  0.284  1.0
  S  S26  1  0.372  0.088  0.247  1.0
  S  S27  1  0.841  0.125  0.753  1.0
  S  S28  1  0.628  0.875  0.716  1.0
[/CIF]
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