The material described by Ce2Cu(NO)2 crystallizes in the tetragonal I4/mmm space group. Ce(1) is bonded in a distorted body-centered cubic geometry to four equivalent N(1) and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. N(1) is bonded to four equivalent Ce(1) atoms to form NCe4 tetrahedra that share corners with twelve equivalent O(1)Ce4Cu2 octahedra, corners with four equivalent N(1)Ce4 tetrahedra, edges with two equivalent O(1)Ce4Cu2 octahedra, and edges with four equivalent N(1)Ce4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-69°. O(1) is bonded to four equivalent Ce(1) and two equivalent Cu(1) atoms to form distorted OCe4Cu2 octahedra that share corners with two equivalent O(1)Ce4Cu2 octahedra, corners with twelve equivalent N(1)Ce4 tetrahedra, edges with two equivalent O(1)Ce4Cu2 octahedra, edges with two equivalent N(1)Ce4 tetrahedra, and faces with four equivalent O(1)Ce4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ce2Cu(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   6.637
_cell_angle_alpha   145.573
_cell_angle_beta   145.573
_cell_angle_gamma   49.481
_symmetry_Int_Tables_number   1
_cell_volume   92.996
_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  0.651  0.651  0.000  1.0
  Ce  Ce1  1  0.349  0.349  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.250  0.750  0.500  1.0
  N  N4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by Ce2Cu(NO)2 crystallizes in the tetragonal I4/mmm space group. Ce(1) is bonded in a distorted body-centered cubic geometry to four equivalent N(1) and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. N(1) is bonded to four equivalent Ce(1) atoms to form NCe4 tetrahedra that share corners with twelve equivalent O(1)Ce4Cu2 octahedra, corners with four equivalent N(1)Ce4 tetrahedra, edges with two equivalent O(1)Ce4Cu2 octahedra, and edges with four equivalent N(1)Ce4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-69°. O(1) is bonded to four equivalent Ce(1) and two equivalent Cu(1) atoms to form distorted OCe4Cu2 octahedra that share corners with two equivalent O(1)Ce4Cu2 octahedra, corners with twelve equivalent N(1)Ce4 tetrahedra, edges with two equivalent O(1)Ce4Cu2 octahedra, edges with two equivalent N(1)Ce4 tetrahedra, and faces with four equivalent O(1)Ce4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ce2Cu(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   6.637
_cell_angle_alpha   145.573
_cell_angle_beta   145.573
_cell_angle_gamma   49.481
_symmetry_Int_Tables_number   1
_cell_volume   92.996
_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  0.651  0.651  0.000  1.0
  Ce  Ce1  1  0.349  0.349  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.250  0.750  0.500  1.0
  N  N4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.500  0.000  0.500  1.0
[/CIF]
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