The crystal structure described by U3LaC8 crystallizes in the trigonal R-3 space group. U(1) is bonded to two equivalent C(2) and four equivalent C(1) atoms to form UC6 octahedra that share corners with eight equivalent U(1)C6 octahedra, corners with two equivalent C(2)U3C tetrahedra, and edges with four equivalent La(1)C12 cuboctahedra. The corner-sharing octahedral tilt angles range from 68-71°. La(1) is bonded to twelve equivalent C(1) atoms to form LaC12 cuboctahedra that share edges with six equivalent La(1)C12 cuboctahedra and edges with twelve equivalent U(1)C6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to two equivalent U(1), two equivalent La(1), and one C(1) atom. In the second C site, C(2) is bonded to three equivalent U(1) and one C(2) atom to form CU3C tetrahedra that share corners with three equivalent U(1)C6 octahedra and corners with three equivalent C(2)U3C tetrahedra. The corner-sharing octahedral tilt angles are 70°. is represented by the CIF card [CIF]
data_LaU3C8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.526
_cell_length_b   5.526
_cell_length_c   5.526
_cell_angle_alpha   91.098
_cell_angle_beta   91.098
_cell_angle_gamma   91.098
_symmetry_Int_Tables_number   1
_cell_volume   168.615
_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
  La  La0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.500  0.500  0.000  1.0
  U  U2  1  0.000  0.500  0.500  1.0
  U  U3  1  0.500  0.000  0.500  1.0
  C  C4  1  0.921  0.093  0.485  1.0
  C  C5  1  0.485  0.921  0.093  1.0
  C  C6  1  0.093  0.485  0.921  1.0
  C  C7  1  0.577  0.577  0.577  1.0
  C  C8  1  0.079  0.907  0.515  1.0
  C  C9  1  0.515  0.079  0.907  1.0
  C  C10  1  0.907  0.515  0.079  1.0
  C  C11  1  0.423  0.423  0.423  1.0
[/CIF]
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The crystal structure described by U3LaC8 crystallizes in the trigonal R-3 space group. U(1) is bonded to two equivalent C(2) and four equivalent C(1) atoms to form UC6 octahedra that share corners with eight equivalent U(1)C6 octahedra, corners with two equivalent C(2)U3C tetrahedra, and edges with four equivalent La(1)C12 cuboctahedra. The corner-sharing octahedral tilt angles range from 68-71°. La(1) is bonded to twelve equivalent C(1) atoms to form LaC12 cuboctahedra that share edges with six equivalent La(1)C12 cuboctahedra and edges with twelve equivalent U(1)C6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to two equivalent U(1), two equivalent La(1), and one C(1) atom. In the second C site, C(2) is bonded to three equivalent U(1) and one C(2) atom to form CU3C tetrahedra that share corners with three equivalent U(1)C6 octahedra and corners with three equivalent C(2)U3C tetrahedra. The corner-sharing octahedral tilt angles are 70°. is represented by the CIF card [CIF]
data_LaU3C8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.526
_cell_length_b   5.526
_cell_length_c   5.526
_cell_angle_alpha   91.098
_cell_angle_beta   91.098
_cell_angle_gamma   91.098
_symmetry_Int_Tables_number   1
_cell_volume   168.615
_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
  La  La0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.500  0.500  0.000  1.0
  U  U2  1  0.000  0.500  0.500  1.0
  U  U3  1  0.500  0.000  0.500  1.0
  C  C4  1  0.921  0.093  0.485  1.0
  C  C5  1  0.485  0.921  0.093  1.0
  C  C6  1  0.093  0.485  0.921  1.0
  C  C7  1  0.577  0.577  0.577  1.0
  C  C8  1  0.079  0.907  0.515  1.0
  C  C9  1  0.515  0.079  0.907  1.0
  C  C10  1  0.907  0.515  0.079  1.0
  C  C11  1  0.423  0.423  0.423  1.0
[/CIF]
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