The material structure described by Ce2CN3Cl crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), and four equivalent Cl(1) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to two equivalent N(2), four equivalent N(1), and one Cl(1) atom. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Ce(1), two equivalent Ce(2), and one C(1) atom. In the second N site, N(2) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form a mixture of corner and edge-sharing NCe4 tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to one Ce(2) and four equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce2CN3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.143
_cell_length_b   8.143
_cell_length_c   3.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.548
_symmetry_Int_Tables_number   1
_cell_volume   244.752
_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  0.291  0.291  0.500  1.0
  Ce  Ce1  1  0.709  0.709  0.500  1.0
  Ce  Ce2  1  0.864  0.136  0.000  1.0
  Ce  Ce3  1  0.136  0.864  0.000  1.0
  C  C4  1  0.000  0.500  0.500  1.0
  C  C5  1  0.500  0.000  0.500  1.0
  N  N6  1  0.998  0.348  0.500  1.0
  N  N7  1  0.002  0.652  0.500  1.0
  N  N8  1  0.652  0.002  0.500  1.0
  N  N9  1  0.348  0.998  0.500  1.0
  N  N10  1  0.159  0.159  0.000  1.0
  N  N11  1  0.841  0.841  0.000  1.0
  Cl  Cl12  1  0.624  0.376  0.000  1.0
  Cl  Cl13  1  0.376  0.624  0.000  1.0
[/CIF]
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The material structure described by Ce2CN3Cl crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), and four equivalent Cl(1) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to two equivalent N(2), four equivalent N(1), and one Cl(1) atom. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Ce(1), two equivalent Ce(2), and one C(1) atom. In the second N site, N(2) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form a mixture of corner and edge-sharing NCe4 tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to one Ce(2) and four equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce2CN3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.143
_cell_length_b   8.143
_cell_length_c   3.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.548
_symmetry_Int_Tables_number   1
_cell_volume   244.752
_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  0.291  0.291  0.500  1.0
  Ce  Ce1  1  0.709  0.709  0.500  1.0
  Ce  Ce2  1  0.864  0.136  0.000  1.0
  Ce  Ce3  1  0.136  0.864  0.000  1.0
  C  C4  1  0.000  0.500  0.500  1.0
  C  C5  1  0.500  0.000  0.500  1.0
  N  N6  1  0.998  0.348  0.500  1.0
  N  N7  1  0.002  0.652  0.500  1.0
  N  N8  1  0.652  0.002  0.500  1.0
  N  N9  1  0.348  0.998  0.500  1.0
  N  N10  1  0.159  0.159  0.000  1.0
  N  N11  1  0.841  0.841  0.000  1.0
  Cl  Cl12  1  0.624  0.376  0.000  1.0
  Cl  Cl13  1  0.376  0.624  0.000  1.0
[/CIF]
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