The material described by Ce2NCl3 crystallizes in the orthorhombic Ibam space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent Cl(1), and four equivalent Cl(2) atoms. N(1) is bonded to four equivalent Ce(1) atoms to form edge-sharing NCe4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to four equivalent Ce(1) atoms. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to four equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce2NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.259
_cell_length_b   8.258
_cell_length_c   8.258
_cell_angle_alpha   136.691
_cell_angle_beta   130.816
_cell_angle_gamma   67.585
_symmetry_Int_Tables_number   1
_cell_volume   287.536
_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  0.918  0.594  0.324  1.0
  Ce  Ce1  1  0.082  0.406  0.676  1.0
  Ce  Ce2  1  0.731  0.906  0.824  1.0
  Ce  Ce3  1  0.269  0.094  0.176  1.0
  N  N4  1  0.000  0.250  0.250  1.0
  N  N5  1  0.000  0.750  0.750  1.0
  Cl  Cl6  1  0.500  0.250  0.750  1.0
  Cl  Cl7  1  0.500  0.750  0.250  1.0
  Cl  Cl8  1  0.986  0.802  0.184  1.0
  Cl  Cl9  1  0.014  0.198  0.816  1.0
  Cl  Cl10  1  0.383  0.698  0.684  1.0
  Cl  Cl11  1  0.617  0.302  0.316  1.0
[/CIF]
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The material described by Ce2NCl3 crystallizes in the orthorhombic Ibam space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent Cl(1), and four equivalent Cl(2) atoms. N(1) is bonded to four equivalent Ce(1) atoms to form edge-sharing NCe4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to four equivalent Ce(1) atoms. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to four equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce2NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.259
_cell_length_b   8.258
_cell_length_c   8.258
_cell_angle_alpha   136.691
_cell_angle_beta   130.816
_cell_angle_gamma   67.585
_symmetry_Int_Tables_number   1
_cell_volume   287.536
_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  0.918  0.594  0.324  1.0
  Ce  Ce1  1  0.082  0.406  0.676  1.0
  Ce  Ce2  1  0.731  0.906  0.824  1.0
  Ce  Ce3  1  0.269  0.094  0.176  1.0
  N  N4  1  0.000  0.250  0.250  1.0
  N  N5  1  0.000  0.750  0.750  1.0
  Cl  Cl6  1  0.500  0.250  0.750  1.0
  Cl  Cl7  1  0.500  0.750  0.250  1.0
  Cl  Cl8  1  0.986  0.802  0.184  1.0
  Cl  Cl9  1  0.014  0.198  0.816  1.0
  Cl  Cl10  1  0.383  0.698  0.684  1.0
  Cl  Cl11  1  0.617  0.302  0.316  1.0
[/CIF]
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