The material structure described by UNiC2 crystallizes in the tetragonal P4/nmm space group. U(1) is bonded in a 5-coordinate geometry to five equivalent C(2) atoms. Ni(1) is bonded to four equivalent C(1) atoms to form NiC4 tetrahedra that share corners with four equivalent C(2)U5C octahedra, corners with four equivalent Ni(1)C4 tetrahedra, and edges with four equivalent Ni(1)C4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to four equivalent Ni(1) and one C(2) atom. In the second C site, C(2) is bonded to five equivalent U(1) and one C(1) atom to form CU5C octahedra that share corners with four equivalent C(2)U5C octahedra, corners with four equivalent Ni(1)C4 tetrahedra, and edges with eight equivalent C(2)U5C octahedra. The corner-sharing octahedral tilt angles are 14°. is represented by the CIF file [CIF]
data_UNiC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.506
_cell_length_b   3.506
_cell_length_c   7.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   90.466
_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
  U  U0  1  0.000  0.500  0.678  1.0
  U  U1  1  0.500  0.000  0.322  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  C  C4  1  0.000  0.500  0.164  1.0
  C  C5  1  0.500  0.000  0.836  1.0
  C  C6  1  0.000  0.500  0.362  1.0
  C  C7  1  0.500  0.000  0.638  1.0
[/CIF]
.
The material structure described by UNiC2 crystallizes in the tetragonal P4/nmm space group. U(1) is bonded in a 5-coordinate geometry to five equivalent C(2) atoms. Ni(1) is bonded to four equivalent C(1) atoms to form NiC4 tetrahedra that share corners with four equivalent C(2)U5C octahedra, corners with four equivalent Ni(1)C4 tetrahedra, and edges with four equivalent Ni(1)C4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to four equivalent Ni(1) and one C(2) atom. In the second C site, C(2) is bonded to five equivalent U(1) and one C(1) atom to form CU5C octahedra that share corners with four equivalent C(2)U5C octahedra, corners with four equivalent Ni(1)C4 tetrahedra, and edges with eight equivalent C(2)U5C octahedra. The corner-sharing octahedral tilt angles are 14°. is represented by the CIF file [CIF]
data_UNiC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.506
_cell_length_b   3.506
_cell_length_c   7.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   90.466
_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
  U  U0  1  0.000  0.500  0.678  1.0
  U  U1  1  0.500  0.000  0.322  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  C  C4  1  0.000  0.500  0.164  1.0
  C  C5  1  0.500  0.000  0.836  1.0
  C  C6  1  0.000  0.500  0.362  1.0
  C  C7  1  0.500  0.000  0.638  1.0
[/CIF]
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