The compound described by NdCeI4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. Ce(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Nd(1) and two equivalent Ce(1) atoms to form a mixture of distorted face, corner, and edge-sharing ICe2Nd2 tetrahedra. In the second I site, I(2) is bonded to two equivalent Nd(1) and two equivalent Ce(1) atoms to form a mixture of distorted face, corner, and edge-sharing ICe2Nd2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeNdI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.906
_cell_length_b   8.906
_cell_length_c   7.681
_cell_angle_alpha   69.340
_cell_angle_beta   69.340
_cell_angle_gamma   110.207
_symmetry_Int_Tables_number   1
_cell_volume   450.040
_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
  Ce  Ce0  1  0.495  0.505  0.250  1.0
  Ce  Ce1  1  0.505  0.495  0.750  1.0
  Nd  Nd2  1  0.131  0.869  0.250  1.0
  Nd  Nd3  1  0.869  0.131  0.750  1.0
  I  I4  1  0.874  0.754  0.755  1.0
  I  I5  1  0.246  0.126  0.745  1.0
  I  I6  1  0.126  0.246  0.245  1.0
  I  I7  1  0.555  0.194  0.090  1.0
  I  I8  1  0.445  0.806  0.910  1.0
  I  I9  1  0.754  0.874  0.255  1.0
  I  I10  1  0.806  0.445  0.410  1.0
  I  I11  1  0.194  0.555  0.590  1.0
[/CIF]
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The compound described by NdCeI4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. Ce(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Nd(1) and two equivalent Ce(1) atoms to form a mixture of distorted face, corner, and edge-sharing ICe2Nd2 tetrahedra. In the second I site, I(2) is bonded to two equivalent Nd(1) and two equivalent Ce(1) atoms to form a mixture of distorted face, corner, and edge-sharing ICe2Nd2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeNdI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.906
_cell_length_b   8.906
_cell_length_c   7.681
_cell_angle_alpha   69.340
_cell_angle_beta   69.340
_cell_angle_gamma   110.207
_symmetry_Int_Tables_number   1
_cell_volume   450.040
_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
  Ce  Ce0  1  0.495  0.505  0.250  1.0
  Ce  Ce1  1  0.505  0.495  0.750  1.0
  Nd  Nd2  1  0.131  0.869  0.250  1.0
  Nd  Nd3  1  0.869  0.131  0.750  1.0
  I  I4  1  0.874  0.754  0.755  1.0
  I  I5  1  0.246  0.126  0.745  1.0
  I  I6  1  0.126  0.246  0.245  1.0
  I  I7  1  0.555  0.194  0.090  1.0
  I  I8  1  0.445  0.806  0.910  1.0
  I  I9  1  0.754  0.874  0.255  1.0
  I  I10  1  0.806  0.445  0.410  1.0
  I  I11  1  0.194  0.555  0.590  1.0
[/CIF]
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