The crystal structure described by K2LaP2S7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one P(2), one S(1), one S(2), one S(4), one S(5), one S(6), one S(7), and two equivalent S(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(4), two equivalent S(6), and two equivalent S(7) atoms. La(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(4), one S(5), one S(6), one S(7), and two equivalent S(2) 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(3), one S(4), and one S(7) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one S(1), one S(5), and one S(6) atom. There are seven inequivalent S sites. In the first S site, S(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), one La(1), and one P(1) atom. In the second S site, S(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one La(1), and one P(2) atom. In the third S site, S(6) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one La(1), and one P(2) atom. In the fourth S site, S(7) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one La(1), and one P(1) atom. In the fifth S site, S(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), one La(1), and one P(2) atom. In the sixth S site, S(2) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent La(1), and one P(1) atom. In the seventh S site, S(3) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one La(1), and one P(1) atom. is represented by the CIF card [CIF]
data_K2LaP2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.931
_cell_length_b   9.278
_cell_length_c   21.352
_cell_angle_alpha   71.140
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1299.239
_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  0.530  0.340  0.310  1.0
  K  K1  1  0.030  0.660  0.190  1.0
  K  K2  1  0.470  0.660  0.690  1.0
  K  K3  1  0.970  0.340  0.810  1.0
  K  K4  1  0.012  0.248  0.490  1.0
  K  K5  1  0.512  0.752  0.010  1.0
  K  K6  1  0.988  0.752  0.510  1.0
  K  K7  1  0.488  0.248  0.990  1.0
  La  La8  1  0.473  0.839  0.350  1.0
  La  La9  1  0.973  0.161  0.150  1.0
  La  La10  1  0.527  0.161  0.650  1.0
  La  La11  1  0.027  0.839  0.850  1.0
  P  P12  1  0.017  0.072  0.331  1.0
  P  P13  1  0.517  0.928  0.169  1.0
  P  P14  1  0.983  0.928  0.669  1.0
  P  P15  1  0.483  0.072  0.831  1.0
  P  P16  1  0.511  0.460  0.456  1.0
  P  P17  1  0.011  0.540  0.044  1.0
  P  P18  1  0.489  0.540  0.544  1.0
  P  P19  1  0.989  0.460  0.956  1.0
  S  S20  1  0.466  0.768  0.506  1.0
  S  S21  1  0.966  0.232  0.994  1.0
  S  S22  1  0.534  0.232  0.494  1.0
  S  S23  1  0.034  0.768  0.006  1.0
  S  S24  1  0.074  0.917  0.282  1.0
  S  S25  1  0.574  0.083  0.218  1.0
  S  S26  1  0.926  0.083  0.718  1.0
  S  S27  1  0.426  0.917  0.782  1.0
  S  S28  1  0.488  0.716  0.239  1.0
  S  S29  1  0.988  0.284  0.261  1.0
  S  S30  1  0.512  0.284  0.761  1.0
  S  S31  1  0.012  0.716  0.739  1.0
  S  S32  1  0.777  0.022  0.390  1.0
  S  S33  1  0.277  0.978  0.110  1.0
  S  S34  1  0.223  0.978  0.610  1.0
  S  S35  1  0.723  0.022  0.890  1.0
  S  S36  1  0.268  0.540  0.401  1.0
  S  S37  1  0.768  0.460  0.099  1.0
  S  S38  1  0.732  0.460  0.599  1.0
  S  S39  1  0.232  0.540  0.901  1.0
  S  S40  1  0.744  0.569  0.404  1.0
  S  S41  1  0.244  0.431  0.096  1.0
  S  S42  1  0.256  0.431  0.596  1.0
  S  S43  1  0.756  0.569  0.904  1.0
  S  S44  1  0.247  0.066  0.392  1.0
  S  S45  1  0.747  0.934  0.108  1.0
  S  S46  1  0.753  0.934  0.608  1.0
  S  S47  1  0.253  0.066  0.892  1.0
[/CIF]
.
The crystal structure described by K2LaP2S7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one P(2), one S(1), one S(2), one S(4), one S(5), one S(6), one S(7), and two equivalent S(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(4), two equivalent S(6), and two equivalent S(7) atoms. La(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(4), one S(5), one S(6), one S(7), and two equivalent S(2) 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(3), one S(4), and one S(7) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one S(1), one S(5), and one S(6) atom. There are seven inequivalent S sites. In the first S site, S(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), one La(1), and one P(1) atom. In the second S site, S(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one La(1), and one P(2) atom. In the third S site, S(6) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one La(1), and one P(2) atom. In the fourth S site, S(7) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one La(1), and one P(1) atom. In the fifth S site, S(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), one La(1), and one P(2) atom. In the sixth S site, S(2) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent La(1), and one P(1) atom. In the seventh S site, S(3) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one La(1), and one P(1) atom. is represented by the CIF card [CIF]
data_K2LaP2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.931
_cell_length_b   9.278
_cell_length_c   21.352
_cell_angle_alpha   71.140
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1299.239
_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  0.530  0.340  0.310  1.0
  K  K1  1  0.030  0.660  0.190  1.0
  K  K2  1  0.470  0.660  0.690  1.0
  K  K3  1  0.970  0.340  0.810  1.0
  K  K4  1  0.012  0.248  0.490  1.0
  K  K5  1  0.512  0.752  0.010  1.0
  K  K6  1  0.988  0.752  0.510  1.0
  K  K7  1  0.488  0.248  0.990  1.0
  La  La8  1  0.473  0.839  0.350  1.0
  La  La9  1  0.973  0.161  0.150  1.0
  La  La10  1  0.527  0.161  0.650  1.0
  La  La11  1  0.027  0.839  0.850  1.0
  P  P12  1  0.017  0.072  0.331  1.0
  P  P13  1  0.517  0.928  0.169  1.0
  P  P14  1  0.983  0.928  0.669  1.0
  P  P15  1  0.483  0.072  0.831  1.0
  P  P16  1  0.511  0.460  0.456  1.0
  P  P17  1  0.011  0.540  0.044  1.0
  P  P18  1  0.489  0.540  0.544  1.0
  P  P19  1  0.989  0.460  0.956  1.0
  S  S20  1  0.466  0.768  0.506  1.0
  S  S21  1  0.966  0.232  0.994  1.0
  S  S22  1  0.534  0.232  0.494  1.0
  S  S23  1  0.034  0.768  0.006  1.0
  S  S24  1  0.074  0.917  0.282  1.0
  S  S25  1  0.574  0.083  0.218  1.0
  S  S26  1  0.926  0.083  0.718  1.0
  S  S27  1  0.426  0.917  0.782  1.0
  S  S28  1  0.488  0.716  0.239  1.0
  S  S29  1  0.988  0.284  0.261  1.0
  S  S30  1  0.512  0.284  0.761  1.0
  S  S31  1  0.012  0.716  0.739  1.0
  S  S32  1  0.777  0.022  0.390  1.0
  S  S33  1  0.277  0.978  0.110  1.0
  S  S34  1  0.223  0.978  0.610  1.0
  S  S35  1  0.723  0.022  0.890  1.0
  S  S36  1  0.268  0.540  0.401  1.0
  S  S37  1  0.768  0.460  0.099  1.0
  S  S38  1  0.732  0.460  0.599  1.0
  S  S39  1  0.232  0.540  0.901  1.0
  S  S40  1  0.744  0.569  0.404  1.0
  S  S41  1  0.244  0.431  0.096  1.0
  S  S42  1  0.256  0.431  0.596  1.0
  S  S43  1  0.756  0.569  0.904  1.0
  S  S44  1  0.247  0.066  0.392  1.0
  S  S45  1  0.747  0.934  0.108  1.0
  S  S46  1  0.753  0.934  0.608  1.0
  S  S47  1  0.253  0.066  0.892  1.0
[/CIF]
.