The material described by Th3CeAl2 is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to three equivalent Ce(1) and four equivalent Al(1) atoms. In the second Th site, Th(2) is bonded in a 4-coordinate geometry to two equivalent Ce(1) and four equivalent Al(1) atoms. Ce(1) is bonded in a 11-coordinate geometry to three equivalent Th(1), four equivalent Th(2), and four equivalent Al(1) atoms. Al(1) is bonded in a distorted q6 geometry to two equivalent Th(1), four equivalent Th(2), two equivalent Ce(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_CeTh3Al2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.766
_cell_length_b   6.152
_cell_length_c   6.132
_cell_angle_alpha   78.433
_cell_angle_beta   50.897
_cell_angle_gamma   50.670
_symmetry_Int_Tables_number   1
_cell_volume   165.876
_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  0.656  0.344  0.656  1.0
  Th  Th1  1  0.346  0.654  0.346  1.0
  Th  Th2  1  0.844  0.844  0.156  1.0
  Th  Th3  1  0.156  0.156  0.844  1.0
  Al  Al4  1  0.249  0.251  0.249  1.0
  Al  Al5  1  0.749  0.751  0.749  1.0
[/CIF]
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The material described by Th3CeAl2 is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to three equivalent Ce(1) and four equivalent Al(1) atoms. In the second Th site, Th(2) is bonded in a 4-coordinate geometry to two equivalent Ce(1) and four equivalent Al(1) atoms. Ce(1) is bonded in a 11-coordinate geometry to three equivalent Th(1), four equivalent Th(2), and four equivalent Al(1) atoms. Al(1) is bonded in a distorted q6 geometry to two equivalent Th(1), four equivalent Th(2), two equivalent Ce(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_CeTh3Al2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.766
_cell_length_b   6.152
_cell_length_c   6.132
_cell_angle_alpha   78.433
_cell_angle_beta   50.897
_cell_angle_gamma   50.670
_symmetry_Int_Tables_number   1
_cell_volume   165.876
_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  0.656  0.344  0.656  1.0
  Th  Th1  1  0.346  0.654  0.346  1.0
  Th  Th2  1  0.844  0.844  0.156  1.0
  Th  Th3  1  0.156  0.156  0.844  1.0
  Al  Al4  1  0.249  0.251  0.249  1.0
  Al  Al5  1  0.749  0.751  0.749  1.0
[/CIF]
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