The structure described by U4CeC5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to one C(1), one C(3), and four equivalent C(2) atoms to form UC6 octahedra that share  a cornercorner with one U(2)C6 octahedra, corners with five equivalent U(1)C6 octahedra, edges with four equivalent U(1)C6 octahedra, edges with four equivalent U(2)C6 octahedra, and edges with four equivalent Ce(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second U site, U(2) is bonded to one C(2) and five equivalent C(1) atoms to form UC6 octahedra that share  a cornercorner with one U(1)C6 octahedra,  a cornercorner with one Ce(1)C6 octahedra, corners with four equivalent U(2)C6 octahedra, edges with four equivalent U(1)C6 octahedra, and edges with eight equivalent U(2)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Ce(1) is bonded to two equivalent C(2) and four equivalent C(3) atoms to form CeC6 octahedra that share corners with two equivalent U(2)C6 octahedra, corners with four equivalent Ce(1)C6 octahedra, edges with four equivalent Ce(1)C6 octahedra, and edges with eight equivalent U(1)C6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent C sites. In the first C site, C(1) is bonded to one U(1) and five equivalent U(2) atoms to form CU6 octahedra that share  a cornercorner with one C(3)Ce4U2 octahedra,  a cornercorner with one C(2)CeU5 octahedra, corners with four equivalent C(1)U6 octahedra, edges with four equivalent C(2)CeU5 octahedra, and edges with eight equivalent C(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second C site, C(2) is bonded to one U(2), four equivalent U(1), and one Ce(1) atom to form CCeU5 octahedra that share  a cornercorner with one C(1)U6 octahedra, corners with five equivalent C(2)CeU5 octahedra, edges with four equivalent C(3)Ce4U2 octahedra, edges with four equivalent C(2)CeU5 octahedra, and edges with four equivalent C(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third C site, C(3) is bonded to two equivalent U(1) and four equivalent Ce(1) atoms to form CCe4U2 octahedra that share corners with two equivalent C(1)U6 octahedra, corners with four equivalent C(3)Ce4U2 octahedra, edges with four equivalent C(3)Ce4U2 octahedra, and edges with eight equivalent C(2)CeU5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CeU4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.643
_cell_length_b   12.643
_cell_length_c   12.643
_cell_angle_alpha   163.939
_cell_angle_beta   163.939
_cell_angle_gamma   22.790
_symmetry_Int_Tables_number   1
_cell_volume   154.656
_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
  U  U1  1  0.400  0.400  0.000  1.0
  U  U2  1  0.799  0.799  0.000  1.0
  U  U3  1  0.201  0.201  0.000  1.0
  U  U4  1  0.600  0.600  0.000  1.0
  C  C5  1  0.300  0.300  0.000  1.0
  C  C6  1  0.700  0.700  0.000  1.0
  C  C7  1  0.105  0.105  0.000  1.0
  C  C8  1  0.500  0.500  0.000  1.0
  C  C9  1  0.895  0.895  0.000  1.0
[/CIF]
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The structure described by U4CeC5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to one C(1), one C(3), and four equivalent C(2) atoms to form UC6 octahedra that share  a cornercorner with one U(2)C6 octahedra, corners with five equivalent U(1)C6 octahedra, edges with four equivalent U(1)C6 octahedra, edges with four equivalent U(2)C6 octahedra, and edges with four equivalent Ce(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second U site, U(2) is bonded to one C(2) and five equivalent C(1) atoms to form UC6 octahedra that share  a cornercorner with one U(1)C6 octahedra,  a cornercorner with one Ce(1)C6 octahedra, corners with four equivalent U(2)C6 octahedra, edges with four equivalent U(1)C6 octahedra, and edges with eight equivalent U(2)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Ce(1) is bonded to two equivalent C(2) and four equivalent C(3) atoms to form CeC6 octahedra that share corners with two equivalent U(2)C6 octahedra, corners with four equivalent Ce(1)C6 octahedra, edges with four equivalent Ce(1)C6 octahedra, and edges with eight equivalent U(1)C6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent C sites. In the first C site, C(1) is bonded to one U(1) and five equivalent U(2) atoms to form CU6 octahedra that share  a cornercorner with one C(3)Ce4U2 octahedra,  a cornercorner with one C(2)CeU5 octahedra, corners with four equivalent C(1)U6 octahedra, edges with four equivalent C(2)CeU5 octahedra, and edges with eight equivalent C(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second C site, C(2) is bonded to one U(2), four equivalent U(1), and one Ce(1) atom to form CCeU5 octahedra that share  a cornercorner with one C(1)U6 octahedra, corners with five equivalent C(2)CeU5 octahedra, edges with four equivalent C(3)Ce4U2 octahedra, edges with four equivalent C(2)CeU5 octahedra, and edges with four equivalent C(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third C site, C(3) is bonded to two equivalent U(1) and four equivalent Ce(1) atoms to form CCe4U2 octahedra that share corners with two equivalent C(1)U6 octahedra, corners with four equivalent C(3)Ce4U2 octahedra, edges with four equivalent C(3)Ce4U2 octahedra, and edges with eight equivalent C(2)CeU5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CeU4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.643
_cell_length_b   12.643
_cell_length_c   12.643
_cell_angle_alpha   163.939
_cell_angle_beta   163.939
_cell_angle_gamma   22.790
_symmetry_Int_Tables_number   1
_cell_volume   154.656
_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
  U  U1  1  0.400  0.400  0.000  1.0
  U  U2  1  0.799  0.799  0.000  1.0
  U  U3  1  0.201  0.201  0.000  1.0
  U  U4  1  0.600  0.600  0.000  1.0
  C  C5  1  0.300  0.300  0.000  1.0
  C  C6  1  0.700  0.700  0.000  1.0
  C  C7  1  0.105  0.105  0.000  1.0
  C  C8  1  0.500  0.500  0.000  1.0
  C  C9  1  0.895  0.895  0.000  1.0
[/CIF]
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