The material described by U2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. U(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing UC3N3 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to six equivalent U(1) atoms to form CU6 octahedra that share corners with six equivalent N(1)U6 octahedra, edges with six equivalent C(1)U6 octahedra, and edges with six equivalent N(1)U6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to six equivalent U(1) atoms to form NU6 octahedra that share corners with six equivalent C(1)U6 octahedra, edges with six equivalent C(1)U6 octahedra, and edges with six equivalent N(1)U6 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.000
_cell_length_b   6.000
_cell_length_c   6.000
_cell_angle_alpha   34.074
_cell_angle_beta   34.074
_cell_angle_gamma   34.074
_symmetry_Int_Tables_number   1
_cell_volume   60.450
_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
  U  U0  1  0.248  0.248  0.248  1.0
  U  U1  1  0.752  0.752  0.752  1.0
  C  C2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by U2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. U(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing UC3N3 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to six equivalent U(1) atoms to form CU6 octahedra that share corners with six equivalent N(1)U6 octahedra, edges with six equivalent C(1)U6 octahedra, and edges with six equivalent N(1)U6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to six equivalent U(1) atoms to form NU6 octahedra that share corners with six equivalent C(1)U6 octahedra, edges with six equivalent C(1)U6 octahedra, and edges with six equivalent N(1)U6 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.000
_cell_length_b   6.000
_cell_length_c   6.000
_cell_angle_alpha   34.074
_cell_angle_beta   34.074
_cell_angle_gamma   34.074
_symmetry_Int_Tables_number   1
_cell_volume   60.450
_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
  U  U0  1  0.248  0.248  0.248  1.0
  U  U1  1  0.752  0.752  0.752  1.0
  C  C2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.500  0.500  1.0
[/CIF]
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