The compound described by NdS2 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent S(1) and five equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded to five equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing SNd5 trigonal bipyramids. In the second S site, S(1) is bonded in a distorted pentagonal planar geometry to four equivalent Nd(1) and one S(1) atom. is represented by the CIF file [CIF]
data_NdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.053
_cell_length_b   8.071
_cell_length_c   8.127
_cell_angle_alpha   90.051
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.833
_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
  Nd  Nd0  1  0.711  0.629  0.276  1.0
  Nd  Nd1  1  0.211  0.871  0.724  1.0
  Nd  Nd2  1  0.289  0.371  0.724  1.0
  Nd  Nd3  1  0.789  0.129  0.276  1.0
  S  S4  1  0.154  0.607  0.003  1.0
  S  S5  1  0.654  0.893  0.997  1.0
  S  S6  1  0.846  0.393  0.997  1.0
  S  S7  1  0.346  0.107  0.003  1.0
  S  S8  1  0.761  0.126  0.633  1.0
  S  S9  1  0.261  0.374  0.367  1.0
  S  S10  1  0.239  0.874  0.367  1.0
  S  S11  1  0.739  0.626  0.633  1.0
[/CIF]
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The compound described by NdS2 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent S(1) and five equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded to five equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing SNd5 trigonal bipyramids. In the second S site, S(1) is bonded in a distorted pentagonal planar geometry to four equivalent Nd(1) and one S(1) atom. is represented by the CIF file [CIF]
data_NdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.053
_cell_length_b   8.071
_cell_length_c   8.127
_cell_angle_alpha   90.051
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.833
_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
  Nd  Nd0  1  0.711  0.629  0.276  1.0
  Nd  Nd1  1  0.211  0.871  0.724  1.0
  Nd  Nd2  1  0.289  0.371  0.724  1.0
  Nd  Nd3  1  0.789  0.129  0.276  1.0
  S  S4  1  0.154  0.607  0.003  1.0
  S  S5  1  0.654  0.893  0.997  1.0
  S  S6  1  0.846  0.393  0.997  1.0
  S  S7  1  0.346  0.107  0.003  1.0
  S  S8  1  0.761  0.126  0.633  1.0
  S  S9  1  0.261  0.374  0.367  1.0
  S  S10  1  0.239  0.874  0.367  1.0
  S  S11  1  0.739  0.626  0.633  1.0
[/CIF]
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