The structure described by UCe3Al8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. U(1) is bonded in a 16-coordinate geometry to one Ce(2), three equivalent Ce(3), three equivalent Al(2), three equivalent Al(3), and six equivalent Al(1) atoms. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to three equivalent Ce(2), three equivalent Al(1), three equivalent Al(4), and six equivalent Al(2) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one U(1), three equivalent Ce(1), three equivalent Al(2), three equivalent Al(4), and six equivalent Al(1) atoms. In the third Ce site, Ce(3) is bonded in a 15-coordinate geometry to three equivalent U(1), three equivalent Al(1), three equivalent Al(3), and six equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent U(1), one Ce(1), one Ce(3), two equivalent Ce(2), one Al(3), one Al(4), and four equivalent Al(1) atoms to form AlCe4U2Al6 cuboctahedra that share corners with two equivalent Al(3)Ce3U3Al6 cuboctahedra, corners with two equivalent Al(4)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce4U2Al6 cuboctahedra, corners with ten equivalent Al(2)Ce5UAl6 cuboctahedra, edges with two equivalent Al(1)Ce4U2Al6 cuboctahedra, edges with four equivalent Al(2)Ce5UAl6 cuboctahedra, faces with three equivalent Al(3)Ce3U3Al6 cuboctahedra, faces with three equivalent Al(4)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce5UAl6 cuboctahedra, and faces with eight equivalent Al(1)Ce4U2Al6 cuboctahedra. In the second Al site, Al(2) is bonded to one U(1), one Ce(2), two equivalent Ce(1), two equivalent Ce(3), one Al(3), one Al(4), and four equivalent Al(2) atoms to form AlCe5UAl6 cuboctahedra that share corners with two equivalent Al(3)Ce3U3Al6 cuboctahedra, corners with two equivalent Al(4)Ce6Al6 cuboctahedra, corners with four equivalent Al(2)Ce5UAl6 cuboctahedra, corners with ten equivalent Al(1)Ce4U2Al6 cuboctahedra, edges with two equivalent Al(2)Ce5UAl6 cuboctahedra, edges with four equivalent Al(1)Ce4U2Al6 cuboctahedra, faces with three equivalent Al(3)Ce3U3Al6 cuboctahedra, faces with three equivalent Al(4)Ce6Al6 cuboctahedra, faces with four equivalent Al(1)Ce4U2Al6 cuboctahedra, and faces with eight equivalent Al(2)Ce5UAl6 cuboctahedra. In the third Al site, Al(3) is bonded to three equivalent U(1), three equivalent Ce(3), three equivalent Al(1), and three equivalent Al(2) atoms to form AlCe3U3Al6 cuboctahedra that share corners with six equivalent Al(1)Ce4U2Al6 cuboctahedra, corners with six equivalent Al(2)Ce5UAl6 cuboctahedra, corners with six equivalent Al(4)Ce6Al6 cuboctahedra, edges with six equivalent Al(3)Ce3U3Al6 cuboctahedra, faces with nine equivalent Al(1)Ce4U2Al6 cuboctahedra, and faces with nine equivalent Al(2)Ce5UAl6 cuboctahedra. In the fourth Al site, Al(4) is bonded to three equivalent Ce(1), three equivalent Ce(2), three equivalent Al(1), and three equivalent Al(2) atoms to form AlCe6Al6 cuboctahedra that share corners with six equivalent Al(3)Ce3U3Al6 cuboctahedra, corners with six equivalent Al(1)Ce4U2Al6 cuboctahedra, corners with six equivalent Al(2)Ce5UAl6 cuboctahedra, edges with six equivalent Al(4)Ce6Al6 cuboctahedra, faces with nine equivalent Al(1)Ce4U2Al6 cuboctahedra, and faces with nine equivalent Al(2)Ce5UAl6 cuboctahedra. is represented by the CIF card [CIF]
data_Ce3UAl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.660
_cell_length_b   9.660
_cell_length_c   9.660
_cell_angle_alpha   33.495
_cell_angle_beta   33.495
_cell_angle_gamma   33.495
_symmetry_Int_Tables_number   1
_cell_volume   244.507
_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  0.625  0.625  0.625  1.0
  Ce  Ce1  1  0.004  0.004  0.004  1.0
  Ce  Ce2  1  0.497  0.497  0.497  1.0
  U  U3  1  0.125  0.125  0.125  1.0
  Al  Al4  1  0.563  0.062  0.563  1.0
  Al  Al5  1  0.062  0.561  0.062  1.0
  Al  Al6  1  0.062  0.563  0.563  1.0
  Al  Al7  1  0.561  0.062  0.062  1.0
  Al  Al8  1  0.812  0.812  0.812  1.0
  Al  Al9  1  0.313  0.313  0.313  1.0
  Al  Al10  1  0.563  0.563  0.062  1.0
  Al  Al11  1  0.062  0.062  0.561  1.0
[/CIF]
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The structure described by UCe3Al8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. U(1) is bonded in a 16-coordinate geometry to one Ce(2), three equivalent Ce(3), three equivalent Al(2), three equivalent Al(3), and six equivalent Al(1) atoms. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to three equivalent Ce(2), three equivalent Al(1), three equivalent Al(4), and six equivalent Al(2) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one U(1), three equivalent Ce(1), three equivalent Al(2), three equivalent Al(4), and six equivalent Al(1) atoms. In the third Ce site, Ce(3) is bonded in a 15-coordinate geometry to three equivalent U(1), three equivalent Al(1), three equivalent Al(3), and six equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent U(1), one Ce(1), one Ce(3), two equivalent Ce(2), one Al(3), one Al(4), and four equivalent Al(1) atoms to form AlCe4U2Al6 cuboctahedra that share corners with two equivalent Al(3)Ce3U3Al6 cuboctahedra, corners with two equivalent Al(4)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce4U2Al6 cuboctahedra, corners with ten equivalent Al(2)Ce5UAl6 cuboctahedra, edges with two equivalent Al(1)Ce4U2Al6 cuboctahedra, edges with four equivalent Al(2)Ce5UAl6 cuboctahedra, faces with three equivalent Al(3)Ce3U3Al6 cuboctahedra, faces with three equivalent Al(4)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce5UAl6 cuboctahedra, and faces with eight equivalent Al(1)Ce4U2Al6 cuboctahedra. In the second Al site, Al(2) is bonded to one U(1), one Ce(2), two equivalent Ce(1), two equivalent Ce(3), one Al(3), one Al(4), and four equivalent Al(2) atoms to form AlCe5UAl6 cuboctahedra that share corners with two equivalent Al(3)Ce3U3Al6 cuboctahedra, corners with two equivalent Al(4)Ce6Al6 cuboctahedra, corners with four equivalent Al(2)Ce5UAl6 cuboctahedra, corners with ten equivalent Al(1)Ce4U2Al6 cuboctahedra, edges with two equivalent Al(2)Ce5UAl6 cuboctahedra, edges with four equivalent Al(1)Ce4U2Al6 cuboctahedra, faces with three equivalent Al(3)Ce3U3Al6 cuboctahedra, faces with three equivalent Al(4)Ce6Al6 cuboctahedra, faces with four equivalent Al(1)Ce4U2Al6 cuboctahedra, and faces with eight equivalent Al(2)Ce5UAl6 cuboctahedra. In the third Al site, Al(3) is bonded to three equivalent U(1), three equivalent Ce(3), three equivalent Al(1), and three equivalent Al(2) atoms to form AlCe3U3Al6 cuboctahedra that share corners with six equivalent Al(1)Ce4U2Al6 cuboctahedra, corners with six equivalent Al(2)Ce5UAl6 cuboctahedra, corners with six equivalent Al(4)Ce6Al6 cuboctahedra, edges with six equivalent Al(3)Ce3U3Al6 cuboctahedra, faces with nine equivalent Al(1)Ce4U2Al6 cuboctahedra, and faces with nine equivalent Al(2)Ce5UAl6 cuboctahedra. In the fourth Al site, Al(4) is bonded to three equivalent Ce(1), three equivalent Ce(2), three equivalent Al(1), and three equivalent Al(2) atoms to form AlCe6Al6 cuboctahedra that share corners with six equivalent Al(3)Ce3U3Al6 cuboctahedra, corners with six equivalent Al(1)Ce4U2Al6 cuboctahedra, corners with six equivalent Al(2)Ce5UAl6 cuboctahedra, edges with six equivalent Al(4)Ce6Al6 cuboctahedra, faces with nine equivalent Al(1)Ce4U2Al6 cuboctahedra, and faces with nine equivalent Al(2)Ce5UAl6 cuboctahedra. is represented by the CIF card [CIF]
data_Ce3UAl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.660
_cell_length_b   9.660
_cell_length_c   9.660
_cell_angle_alpha   33.495
_cell_angle_beta   33.495
_cell_angle_gamma   33.495
_symmetry_Int_Tables_number   1
_cell_volume   244.507
_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  0.625  0.625  0.625  1.0
  Ce  Ce1  1  0.004  0.004  0.004  1.0
  Ce  Ce2  1  0.497  0.497  0.497  1.0
  U  U3  1  0.125  0.125  0.125  1.0
  Al  Al4  1  0.563  0.062  0.563  1.0
  Al  Al5  1  0.062  0.561  0.062  1.0
  Al  Al6  1  0.062  0.563  0.563  1.0
  Al  Al7  1  0.561  0.062  0.062  1.0
  Al  Al8  1  0.812  0.812  0.812  1.0
  Al  Al9  1  0.313  0.313  0.313  1.0
  Al  Al10  1  0.563  0.563  0.062  1.0
  Al  Al11  1  0.062  0.062  0.561  1.0
[/CIF]
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