The material structure described by NaCr(PS3)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 5-coordinate geometry to one S(6), two equivalent S(1), and two equivalent S(4) atoms. Cr(1) is bonded to one S(2), one S(6), two equivalent S(3), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with three equivalent P(1)PS3 tetrahedra, corners with three equivalent P(2)PS3 tetrahedra, and edges with two equivalent Cr(1)S6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one P(2), one S(2), one S(4), and one S(5) atom to form distorted PPS3 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 73-75°. In the second P site, P(2) is bonded to one P(1), one S(1), one S(3), and one S(6) atom to form distorted PPS3 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 73-74°. There are six inequivalent S sites. In the first S site, S(5) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one P(1) atom. In the second S site, S(6) is bonded in a distorted T-shaped geometry to one Na(1), one Cr(1), and one P(2) atom. In the third S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(2) atom. In the fourth S site, S(2) is bonded in a water-like geometry to one Cr(1) and one P(1) atom. In the fifth S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one P(2) atom. In the sixth S site, S(4) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one P(1) atom. is represented by the CIF card [CIF]
data_NaCr(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   7.242
_cell_length_c   22.424
_cell_angle_alpha   72.684
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   924.905
_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  0.922  0.676  0.281  1.0
  Na  Na1  1  0.078  0.324  0.719  1.0
  Na  Na2  1  0.422  0.324  0.219  1.0
  Na  Na3  1  0.578  0.676  0.781  1.0
  Cr  Cr4  1  0.248  0.939  0.040  1.0
  Cr  Cr5  1  0.752  0.061  0.960  1.0
  Cr  Cr6  1  0.748  0.061  0.460  1.0
  Cr  Cr7  1  0.252  0.939  0.540  1.0
  P  P8  1  0.755  0.963  0.129  1.0
  P  P9  1  0.245  0.037  0.871  1.0
  P  P10  1  0.255  0.037  0.371  1.0
  P  P11  1  0.745  0.963  0.629  1.0
  P  P12  1  0.742  0.680  0.110  1.0
  P  P13  1  0.258  0.320  0.890  1.0
  P  P14  1  0.242  0.320  0.390  1.0
  P  P15  1  0.758  0.680  0.610  1.0
  S  S16  1  0.878  0.469  0.178  1.0
  S  S17  1  0.122  0.531  0.822  1.0
  S  S18  1  0.378  0.531  0.322  1.0
  S  S19  1  0.622  0.469  0.678  1.0
  S  S20  1  0.589  0.977  0.372  1.0
  S  S21  1  0.411  0.023  0.628  1.0
  S  S22  1  0.089  0.023  0.128  1.0
  S  S23  1  0.911  0.977  0.872  1.0
  S  S24  1  0.922  0.759  0.023  1.0
  S  S25  1  0.078  0.241  0.977  1.0
  S  S26  1  0.422  0.241  0.477  1.0
  S  S27  1  0.578  0.759  0.523  1.0
  S  S28  1  0.599  0.949  0.208  1.0
  S  S29  1  0.401  0.051  0.792  1.0
  S  S30  1  0.099  0.051  0.292  1.0
  S  S31  1  0.901  0.949  0.708  1.0
  S  S32  1  0.577  0.132  0.049  1.0
  S  S33  1  0.423  0.868  0.951  1.0
  S  S34  1  0.077  0.868  0.451  1.0
  S  S35  1  0.923  0.132  0.549  1.0
  S  S36  1  0.411  0.630  0.097  1.0
  S  S37  1  0.589  0.370  0.903  1.0
  S  S38  1  0.911  0.370  0.403  1.0
  S  S39  1  0.089  0.630  0.597  1.0
[/CIF]
.
The material structure described by NaCr(PS3)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 5-coordinate geometry to one S(6), two equivalent S(1), and two equivalent S(4) atoms. Cr(1) is bonded to one S(2), one S(6), two equivalent S(3), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with three equivalent P(1)PS3 tetrahedra, corners with three equivalent P(2)PS3 tetrahedra, and edges with two equivalent Cr(1)S6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one P(2), one S(2), one S(4), and one S(5) atom to form distorted PPS3 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 73-75°. In the second P site, P(2) is bonded to one P(1), one S(1), one S(3), and one S(6) atom to form distorted PPS3 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 73-74°. There are six inequivalent S sites. In the first S site, S(5) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one P(1) atom. In the second S site, S(6) is bonded in a distorted T-shaped geometry to one Na(1), one Cr(1), and one P(2) atom. In the third S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(2) atom. In the fourth S site, S(2) is bonded in a water-like geometry to one Cr(1) and one P(1) atom. In the fifth S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one P(2) atom. In the sixth S site, S(4) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one P(1) atom. is represented by the CIF card [CIF]
data_NaCr(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   7.242
_cell_length_c   22.424
_cell_angle_alpha   72.684
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   924.905
_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  0.922  0.676  0.281  1.0
  Na  Na1  1  0.078  0.324  0.719  1.0
  Na  Na2  1  0.422  0.324  0.219  1.0
  Na  Na3  1  0.578  0.676  0.781  1.0
  Cr  Cr4  1  0.248  0.939  0.040  1.0
  Cr  Cr5  1  0.752  0.061  0.960  1.0
  Cr  Cr6  1  0.748  0.061  0.460  1.0
  Cr  Cr7  1  0.252  0.939  0.540  1.0
  P  P8  1  0.755  0.963  0.129  1.0
  P  P9  1  0.245  0.037  0.871  1.0
  P  P10  1  0.255  0.037  0.371  1.0
  P  P11  1  0.745  0.963  0.629  1.0
  P  P12  1  0.742  0.680  0.110  1.0
  P  P13  1  0.258  0.320  0.890  1.0
  P  P14  1  0.242  0.320  0.390  1.0
  P  P15  1  0.758  0.680  0.610  1.0
  S  S16  1  0.878  0.469  0.178  1.0
  S  S17  1  0.122  0.531  0.822  1.0
  S  S18  1  0.378  0.531  0.322  1.0
  S  S19  1  0.622  0.469  0.678  1.0
  S  S20  1  0.589  0.977  0.372  1.0
  S  S21  1  0.411  0.023  0.628  1.0
  S  S22  1  0.089  0.023  0.128  1.0
  S  S23  1  0.911  0.977  0.872  1.0
  S  S24  1  0.922  0.759  0.023  1.0
  S  S25  1  0.078  0.241  0.977  1.0
  S  S26  1  0.422  0.241  0.477  1.0
  S  S27  1  0.578  0.759  0.523  1.0
  S  S28  1  0.599  0.949  0.208  1.0
  S  S29  1  0.401  0.051  0.792  1.0
  S  S30  1  0.099  0.051  0.292  1.0
  S  S31  1  0.901  0.949  0.708  1.0
  S  S32  1  0.577  0.132  0.049  1.0
  S  S33  1  0.423  0.868  0.951  1.0
  S  S34  1  0.077  0.868  0.451  1.0
  S  S35  1  0.923  0.132  0.549  1.0
  S  S36  1  0.411  0.630  0.097  1.0
  S  S37  1  0.589  0.370  0.903  1.0
  S  S38  1  0.911  0.370  0.403  1.0
  S  S39  1  0.089  0.630  0.597  1.0
[/CIF]
.