The compound described by Ce2(CN2)3 crystallizes in the monoclinic C2/m space group. Ce(1) is bonded in a 7-coordinate geometry to two equivalent N(2), two equivalent N(3), and three equivalent N(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Ce(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing NCe3C tetrahedra. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one C(2) atom. is represented by the CIF card [CIF]
data_Ce2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.771
_cell_length_b   7.771
_cell_length_c   5.361
_cell_angle_alpha   83.653
_cell_angle_beta   83.653
_cell_angle_gamma   29.741
_symmetry_Int_Tables_number   1
_cell_volume   159.527
_cell_formula_units_Z   1
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  0.865  0.865  0.574  1.0
  Ce  Ce1  1  0.135  0.135  0.426  1.0
  C  C2  1  0.327  0.327  0.095  1.0
  C  C3  1  0.673  0.673  0.905  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  N  N5  1  0.691  0.691  0.673  1.0
  N  N6  1  0.309  0.309  0.327  1.0
  N  N7  1  0.658  0.658  0.132  1.0
  N  N8  1  0.342  0.342  0.868  1.0
  N  N9  1  0.989  0.989  0.230  1.0
  N  N10  1  0.011  0.011  0.770  1.0
[/CIF]
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The compound described by Ce2(CN2)3 crystallizes in the monoclinic C2/m space group. Ce(1) is bonded in a 7-coordinate geometry to two equivalent N(2), two equivalent N(3), and three equivalent N(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Ce(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing NCe3C tetrahedra. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one C(2) atom. is represented by the CIF card [CIF]
data_Ce2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.771
_cell_length_b   7.771
_cell_length_c   5.361
_cell_angle_alpha   83.653
_cell_angle_beta   83.653
_cell_angle_gamma   29.741
_symmetry_Int_Tables_number   1
_cell_volume   159.527
_cell_formula_units_Z   1
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  0.865  0.865  0.574  1.0
  Ce  Ce1  1  0.135  0.135  0.426  1.0
  C  C2  1  0.327  0.327  0.095  1.0
  C  C3  1  0.673  0.673  0.905  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  N  N5  1  0.691  0.691  0.673  1.0
  N  N6  1  0.309  0.309  0.327  1.0
  N  N7  1  0.658  0.658  0.132  1.0
  N  N8  1  0.342  0.342  0.868  1.0
  N  N9  1  0.989  0.989  0.230  1.0
  N  N10  1  0.011  0.011  0.770  1.0
[/CIF]
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