The compound described by UFeC2 crystallizes in the tetragonal P4/nmm space group. U(1) is bonded to five equivalent C(2) atoms to form a mixture of distorted corner and edge-sharing UC5 square pyramids. Fe(1) is bonded to four equivalent C(1) atoms to form FeC4 tetrahedra that share corners with four equivalent C(2)U5C octahedra, corners with four equivalent Fe(1)C4 tetrahedra, and edges with four equivalent Fe(1)C4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to four equivalent Fe(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 Fe(1)C4 tetrahedra, and edges with eight equivalent C(2)U5C octahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_UFeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.471
_cell_length_b   3.471
_cell_length_c   7.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.815
_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  0.674  1.0
  U  U1  1  0.500  0.000  0.326  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  C  C4  1  0.000  0.500  0.170  1.0
  C  C5  1  0.500  0.000  0.830  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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The compound described by UFeC2 crystallizes in the tetragonal P4/nmm space group. U(1) is bonded to five equivalent C(2) atoms to form a mixture of distorted corner and edge-sharing UC5 square pyramids. Fe(1) is bonded to four equivalent C(1) atoms to form FeC4 tetrahedra that share corners with four equivalent C(2)U5C octahedra, corners with four equivalent Fe(1)C4 tetrahedra, and edges with four equivalent Fe(1)C4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to four equivalent Fe(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 Fe(1)C4 tetrahedra, and edges with eight equivalent C(2)U5C octahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_UFeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.471
_cell_length_b   3.471
_cell_length_c   7.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.815
_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  0.674  1.0
  U  U1  1  0.500  0.000  0.326  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  C  C4  1  0.000  0.500  0.170  1.0
  C  C5  1  0.500  0.000  0.830  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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