The material described by NaSmP2S6 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 8-coordinate geometry to one S(1), one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. Sm(1) is bonded in a 9-coordinate geometry to one S(2), one S(3), one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one P(2), one S(2), one S(4), and one S(6) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one P(1), one S(1), one S(3), and one S(5) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Sm(1), and one P(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Sm(1), and one P(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sm(1), and one P(2) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Sm(1), and one P(1) atom. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to two equivalent Sm(1) and one P(2) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Sm(1), and one P(1) atom. is represented by the CIF file [CIF]
data_NaSm(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.404
_cell_length_b   11.174
_cell_length_c   11.756
_cell_angle_alpha   68.770
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   906.610
_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
  Na  Na0  1  0.109  0.121  0.640  1.0
  Na  Na1  1  0.391  0.621  0.640  1.0
  Na  Na2  1  0.609  0.379  0.360  1.0
  Na  Na3  1  0.891  0.879  0.360  1.0
  Sm  Sm4  1  0.390  0.091  0.153  1.0
  Sm  Sm5  1  0.110  0.591  0.153  1.0
  Sm  Sm6  1  0.890  0.409  0.847  1.0
  Sm  Sm7  1  0.610  0.909  0.847  1.0
  P  P8  1  0.615  0.251  0.694  1.0
  P  P9  1  0.385  0.749  0.306  1.0
  P  P10  1  0.115  0.249  0.306  1.0
  P  P11  1  0.885  0.751  0.694  1.0
  P  P12  1  0.603  0.750  0.175  1.0
  P  P13  1  0.103  0.750  0.825  1.0
  P  P14  1  0.897  0.250  0.175  1.0
  P  P15  1  0.397  0.250  0.825  1.0
  S  S16  1  0.814  0.435  0.092  1.0
  S  S17  1  0.492  0.838  0.411  1.0
  S  S18  1  0.704  0.133  0.281  1.0
  S  S19  1  0.296  0.867  0.719  1.0
  S  S20  1  0.686  0.645  0.806  1.0
  S  S21  1  0.686  0.935  0.092  1.0
  S  S22  1  0.814  0.145  0.806  1.0
  S  S23  1  0.521  0.313  0.949  1.0
  S  S24  1  0.021  0.187  0.051  1.0
  S  S25  1  0.796  0.633  0.281  1.0
  S  S26  1  0.508  0.162  0.589  1.0
  S  S27  1  0.314  0.355  0.194  1.0
  S  S28  1  0.314  0.065  0.908  1.0
  S  S29  1  0.701  0.435  0.622  1.0
  S  S30  1  0.799  0.935  0.622  1.0
  S  S31  1  0.186  0.855  0.194  1.0
  S  S32  1  0.204  0.367  0.719  1.0
  S  S33  1  0.201  0.065  0.378  1.0
  S  S34  1  0.479  0.687  0.051  1.0
  S  S35  1  0.299  0.565  0.378  1.0
  S  S36  1  0.186  0.565  0.908  1.0
  S  S37  1  0.979  0.813  0.949  1.0
  S  S38  1  0.992  0.662  0.589  1.0
  S  S39  1  0.008  0.338  0.411  1.0
[/CIF]
.
The material described by NaSmP2S6 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 8-coordinate geometry to one S(1), one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. Sm(1) is bonded in a 9-coordinate geometry to one S(2), one S(3), one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one P(2), one S(2), one S(4), and one S(6) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one P(1), one S(1), one S(3), and one S(5) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Sm(1), and one P(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Sm(1), and one P(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sm(1), and one P(2) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Sm(1), and one P(1) atom. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to two equivalent Sm(1) and one P(2) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Sm(1), and one P(1) atom. is represented by the CIF file [CIF]
data_NaSm(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.404
_cell_length_b   11.174
_cell_length_c   11.756
_cell_angle_alpha   68.770
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   906.610
_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
  Na  Na0  1  0.109  0.121  0.640  1.0
  Na  Na1  1  0.391  0.621  0.640  1.0
  Na  Na2  1  0.609  0.379  0.360  1.0
  Na  Na3  1  0.891  0.879  0.360  1.0
  Sm  Sm4  1  0.390  0.091  0.153  1.0
  Sm  Sm5  1  0.110  0.591  0.153  1.0
  Sm  Sm6  1  0.890  0.409  0.847  1.0
  Sm  Sm7  1  0.610  0.909  0.847  1.0
  P  P8  1  0.615  0.251  0.694  1.0
  P  P9  1  0.385  0.749  0.306  1.0
  P  P10  1  0.115  0.249  0.306  1.0
  P  P11  1  0.885  0.751  0.694  1.0
  P  P12  1  0.603  0.750  0.175  1.0
  P  P13  1  0.103  0.750  0.825  1.0
  P  P14  1  0.897  0.250  0.175  1.0
  P  P15  1  0.397  0.250  0.825  1.0
  S  S16  1  0.814  0.435  0.092  1.0
  S  S17  1  0.492  0.838  0.411  1.0
  S  S18  1  0.704  0.133  0.281  1.0
  S  S19  1  0.296  0.867  0.719  1.0
  S  S20  1  0.686  0.645  0.806  1.0
  S  S21  1  0.686  0.935  0.092  1.0
  S  S22  1  0.814  0.145  0.806  1.0
  S  S23  1  0.521  0.313  0.949  1.0
  S  S24  1  0.021  0.187  0.051  1.0
  S  S25  1  0.796  0.633  0.281  1.0
  S  S26  1  0.508  0.162  0.589  1.0
  S  S27  1  0.314  0.355  0.194  1.0
  S  S28  1  0.314  0.065  0.908  1.0
  S  S29  1  0.701  0.435  0.622  1.0
  S  S30  1  0.799  0.935  0.622  1.0
  S  S31  1  0.186  0.855  0.194  1.0
  S  S32  1  0.204  0.367  0.719  1.0
  S  S33  1  0.201  0.065  0.378  1.0
  S  S34  1  0.479  0.687  0.051  1.0
  S  S35  1  0.299  0.565  0.378  1.0
  S  S36  1  0.186  0.565  0.908  1.0
  S  S37  1  0.979  0.813  0.949  1.0
  S  S38  1  0.992  0.662  0.589  1.0
  S  S39  1  0.008  0.338  0.411  1.0
[/CIF]
.