The crystal structure described by NaEr(PS3)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one S(1), one S(4), one S(5), one S(6), and two equivalent S(3) atoms to form distorted edge-sharing NaS6 pentagonal pyramids. Er(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(5), one S(6), two equivalent S(2), and two equivalent S(4) 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 S(2), one S(5), and one S(6) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one S(1), one S(3), and one S(4) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Na(1), one Er(1), and one P(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Er(1) and one P(1) atom. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to two equivalent Na(1), one Er(1), and one P(2) atom. In the fourth S site, S(4) is bonded to one Na(1), two equivalent Er(1), and one P(2) atom to form distorted edge-sharing SNaEr2P tetrahedra. In the fifth S site, S(5) is bonded in a T-shaped geometry to one Na(1), one Er(1), and one P(1) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Na(1), one Er(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaEr(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   7.184
_cell_length_c   9.177
_cell_angle_alpha   86.550
_cell_angle_beta   87.955
_cell_angle_gamma   87.717
_symmetry_Int_Tables_number   1
_cell_volume   459.970
_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
  Na  Na0  1  0.472  0.397  0.279  1.0
  Na  Na1  1  0.528  0.603  0.721  1.0
  Er  Er2  1  0.978  0.118  0.748  1.0
  Er  Er3  1  0.022  0.882  0.252  1.0
  P  P4  1  0.351  0.962  0.973  1.0
  P  P5  1  0.649  0.038  0.027  1.0
  P  P6  1  0.935  0.393  0.435  1.0
  P  P7  1  0.065  0.607  0.565  1.0
  S  S8  1  0.128  0.476  0.759  1.0
  S  S9  1  0.835  0.837  0.950  1.0
  S  S10  1  0.290  0.702  0.439  1.0
  S  S11  1  0.872  0.524  0.241  1.0
  S  S12  1  0.859  0.819  0.562  1.0
  S  S13  1  0.710  0.298  0.561  1.0
  S  S14  1  0.141  0.181  0.438  1.0
  S  S15  1  0.348  0.967  0.751  1.0
  S  S16  1  0.299  0.712  0.076  1.0
  S  S17  1  0.701  0.288  0.924  1.0
  S  S18  1  0.652  0.033  0.249  1.0
  S  S19  1  0.165  0.163  0.050  1.0
[/CIF]
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The crystal structure described by NaEr(PS3)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one S(1), one S(4), one S(5), one S(6), and two equivalent S(3) atoms to form distorted edge-sharing NaS6 pentagonal pyramids. Er(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(5), one S(6), two equivalent S(2), and two equivalent S(4) 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 S(2), one S(5), and one S(6) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one S(1), one S(3), and one S(4) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Na(1), one Er(1), and one P(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Er(1) and one P(1) atom. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to two equivalent Na(1), one Er(1), and one P(2) atom. In the fourth S site, S(4) is bonded to one Na(1), two equivalent Er(1), and one P(2) atom to form distorted edge-sharing SNaEr2P tetrahedra. In the fifth S site, S(5) is bonded in a T-shaped geometry to one Na(1), one Er(1), and one P(1) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Na(1), one Er(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaEr(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   7.184
_cell_length_c   9.177
_cell_angle_alpha   86.550
_cell_angle_beta   87.955
_cell_angle_gamma   87.717
_symmetry_Int_Tables_number   1
_cell_volume   459.970
_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
  Na  Na0  1  0.472  0.397  0.279  1.0
  Na  Na1  1  0.528  0.603  0.721  1.0
  Er  Er2  1  0.978  0.118  0.748  1.0
  Er  Er3  1  0.022  0.882  0.252  1.0
  P  P4  1  0.351  0.962  0.973  1.0
  P  P5  1  0.649  0.038  0.027  1.0
  P  P6  1  0.935  0.393  0.435  1.0
  P  P7  1  0.065  0.607  0.565  1.0
  S  S8  1  0.128  0.476  0.759  1.0
  S  S9  1  0.835  0.837  0.950  1.0
  S  S10  1  0.290  0.702  0.439  1.0
  S  S11  1  0.872  0.524  0.241  1.0
  S  S12  1  0.859  0.819  0.562  1.0
  S  S13  1  0.710  0.298  0.561  1.0
  S  S14  1  0.141  0.181  0.438  1.0
  S  S15  1  0.348  0.967  0.751  1.0
  S  S16  1  0.299  0.712  0.076  1.0
  S  S17  1  0.701  0.288  0.924  1.0
  S  S18  1  0.652  0.033  0.249  1.0
  S  S19  1  0.165  0.163  0.050  1.0
[/CIF]
.