The material described by NdCl2 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 6-coordinate geometry to three equivalent Cl(1) and three equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the second Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to three equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_NdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.602
_cell_length_b   8.762
_cell_length_c   10.089
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.406
_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  0.250  0.128  0.179  1.0
  Nd  Nd1  1  0.750  0.872  0.821  1.0
  Nd  Nd2  1  0.250  0.372  0.679  1.0
  Nd  Nd3  1  0.750  0.628  0.321  1.0
  Cl  Cl4  1  0.250  0.450  0.162  1.0
  Cl  Cl5  1  0.750  0.550  0.838  1.0
  Cl  Cl6  1  0.250  0.050  0.662  1.0
  Cl  Cl7  1  0.750  0.950  0.338  1.0
  Cl  Cl8  1  0.250  0.833  0.047  1.0
  Cl  Cl9  1  0.750  0.167  0.953  1.0
  Cl  Cl10  1  0.250  0.667  0.547  1.0
  Cl  Cl11  1  0.750  0.333  0.453  1.0
[/CIF]
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The material described by NdCl2 crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 6-coordinate geometry to three equivalent Cl(1) and three equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the second Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to three equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_NdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.602
_cell_length_b   8.762
_cell_length_c   10.089
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.406
_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  0.250  0.128  0.179  1.0
  Nd  Nd1  1  0.750  0.872  0.821  1.0
  Nd  Nd2  1  0.250  0.372  0.679  1.0
  Nd  Nd3  1  0.750  0.628  0.321  1.0
  Cl  Cl4  1  0.250  0.450  0.162  1.0
  Cl  Cl5  1  0.750  0.550  0.838  1.0
  Cl  Cl6  1  0.250  0.050  0.662  1.0
  Cl  Cl7  1  0.750  0.950  0.338  1.0
  Cl  Cl8  1  0.250  0.833  0.047  1.0
  Cl  Cl9  1  0.750  0.167  0.953  1.0
  Cl  Cl10  1  0.250  0.667  0.547  1.0
  Cl  Cl11  1  0.750  0.333  0.453  1.0
[/CIF]
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