The material described by CeN2(O3Cl2)2(C4N)2 is Fluorite structured and crystallizes in the tetragonal I-4m2 space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two CeN2(O3Cl2)2 clusters. In each CeN2(O3Cl2)2 cluster, Ce(1) is bonded in a distorted hexagonal bipyramidal geometry to four equivalent O(1) and four equivalent Cl(1) atoms. N(3) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ce(1) and one N(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one N(3) atom. Cl(1) is bonded in a single-bond geometry to one Ce(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeC8N4(Cl2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.220
_cell_length_b   8.220
_cell_length_c   8.220
_cell_angle_alpha   120.347
_cell_angle_beta   120.347
_cell_angle_gamma   89.400
_symmetry_Int_Tables_number   1
_cell_volume   390.620
_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  0.000  0.000  0.000  1.0
  C  C1  1  0.678  0.322  0.644  1.0
  C  C2  1  0.678  0.034  0.356  1.0
  C  C3  1  0.678  0.322  0.356  1.0
  C  C4  1  0.966  0.322  0.644  1.0
  C  C5  1  0.361  0.944  0.583  1.0
  C  C6  1  0.361  0.778  0.417  1.0
  C  C7  1  0.056  0.639  0.417  1.0
  C  C8  1  0.222  0.639  0.583  1.0
  N  N9  1  0.250  0.750  0.500  1.0
  N  N10  1  0.750  0.250  0.500  1.0
  N  N11  1  0.737  0.737  0.000  1.0
  N  N12  1  0.263  0.263  0.000  1.0
  Cl  Cl13  1  0.228  0.772  0.000  1.0
  Cl  Cl14  1  0.772  0.228  0.000  1.0
  Cl  Cl15  1  0.228  0.228  0.457  1.0
  Cl  Cl16  1  0.772  0.772  0.543  1.0
  O  O17  1  0.800  0.668  0.868  1.0
  O  O18  1  0.800  0.933  0.132  1.0
  O  O19  1  0.332  0.200  0.132  1.0
  O  O20  1  0.067  0.200  0.868  1.0
  O  O21  1  0.634  0.634  0.000  1.0
  O  O22  1  0.366  0.366  0.000  1.0
[/CIF]
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The material described by CeN2(O3Cl2)2(C4N)2 is Fluorite structured and crystallizes in the tetragonal I-4m2 space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two CeN2(O3Cl2)2 clusters. In each CeN2(O3Cl2)2 cluster, Ce(1) is bonded in a distorted hexagonal bipyramidal geometry to four equivalent O(1) and four equivalent Cl(1) atoms. N(3) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ce(1) and one N(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one N(3) atom. Cl(1) is bonded in a single-bond geometry to one Ce(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeC8N4(Cl2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.220
_cell_length_b   8.220
_cell_length_c   8.220
_cell_angle_alpha   120.347
_cell_angle_beta   120.347
_cell_angle_gamma   89.400
_symmetry_Int_Tables_number   1
_cell_volume   390.620
_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  0.000  0.000  0.000  1.0
  C  C1  1  0.678  0.322  0.644  1.0
  C  C2  1  0.678  0.034  0.356  1.0
  C  C3  1  0.678  0.322  0.356  1.0
  C  C4  1  0.966  0.322  0.644  1.0
  C  C5  1  0.361  0.944  0.583  1.0
  C  C6  1  0.361  0.778  0.417  1.0
  C  C7  1  0.056  0.639  0.417  1.0
  C  C8  1  0.222  0.639  0.583  1.0
  N  N9  1  0.250  0.750  0.500  1.0
  N  N10  1  0.750  0.250  0.500  1.0
  N  N11  1  0.737  0.737  0.000  1.0
  N  N12  1  0.263  0.263  0.000  1.0
  Cl  Cl13  1  0.228  0.772  0.000  1.0
  Cl  Cl14  1  0.772  0.228  0.000  1.0
  Cl  Cl15  1  0.228  0.228  0.457  1.0
  Cl  Cl16  1  0.772  0.772  0.543  1.0
  O  O17  1  0.800  0.668  0.868  1.0
  O  O18  1  0.800  0.933  0.132  1.0
  O  O19  1  0.332  0.200  0.132  1.0
  O  O20  1  0.067  0.200  0.868  1.0
  O  O21  1  0.634  0.634  0.000  1.0
  O  O22  1  0.366  0.366  0.000  1.0
[/CIF]
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