The material structure described by Ce2Mn3Al is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Ce(1), nine equivalent Mn(1), and three equivalent Al(1) atoms. Mn(1) is bonded to six equivalent Ce(1), four equivalent Mn(1), and two equivalent Al(1) atoms to form MnCe6Mn4Al2 cuboctahedra that share corners with four equivalent Al(1)Ce6Mn6 cuboctahedra, corners with fourteen equivalent Mn(1)Ce6Mn4Al2 cuboctahedra, edges with six equivalent Mn(1)Ce6Mn4Al2 cuboctahedra, faces with six equivalent Al(1)Ce6Mn6 cuboctahedra, and faces with twelve equivalent Mn(1)Ce6Mn4Al2 cuboctahedra. Al(1) is bonded to six equivalent Ce(1) and six equivalent Mn(1) atoms to form AlCe6Mn6 cuboctahedra that share corners with twelve equivalent Mn(1)Ce6Mn4Al2 cuboctahedra, edges with six equivalent Al(1)Ce6Mn6 cuboctahedra, faces with two equivalent Al(1)Ce6Mn6 cuboctahedra, and faces with eighteen equivalent Mn(1)Ce6Mn4Al2 cuboctahedra. is represented by the CIF file [CIF]
data_Ce2Mn3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.385
_cell_length_b   5.385
_cell_length_c   8.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   212.259
_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
  Ce  Ce0  1  0.333  0.667  0.429  1.0
  Ce  Ce1  1  0.667  0.333  0.571  1.0
  Ce  Ce2  1  0.667  0.333  0.929  1.0
  Ce  Ce3  1  0.333  0.667  0.071  1.0
  Mn  Mn4  1  0.829  0.171  0.250  1.0
  Mn  Mn5  1  0.829  0.658  0.250  1.0
  Mn  Mn6  1  0.342  0.171  0.250  1.0
  Mn  Mn7  1  0.171  0.829  0.750  1.0
  Mn  Mn8  1  0.171  0.342  0.750  1.0
  Mn  Mn9  1  0.658  0.829  0.750  1.0
  Al  Al10  1  0.000  0.000  0.500  1.0
  Al  Al11  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Ce2Mn3Al is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Ce(1), nine equivalent Mn(1), and three equivalent Al(1) atoms. Mn(1) is bonded to six equivalent Ce(1), four equivalent Mn(1), and two equivalent Al(1) atoms to form MnCe6Mn4Al2 cuboctahedra that share corners with four equivalent Al(1)Ce6Mn6 cuboctahedra, corners with fourteen equivalent Mn(1)Ce6Mn4Al2 cuboctahedra, edges with six equivalent Mn(1)Ce6Mn4Al2 cuboctahedra, faces with six equivalent Al(1)Ce6Mn6 cuboctahedra, and faces with twelve equivalent Mn(1)Ce6Mn4Al2 cuboctahedra. Al(1) is bonded to six equivalent Ce(1) and six equivalent Mn(1) atoms to form AlCe6Mn6 cuboctahedra that share corners with twelve equivalent Mn(1)Ce6Mn4Al2 cuboctahedra, edges with six equivalent Al(1)Ce6Mn6 cuboctahedra, faces with two equivalent Al(1)Ce6Mn6 cuboctahedra, and faces with eighteen equivalent Mn(1)Ce6Mn4Al2 cuboctahedra. is represented by the CIF file [CIF]
data_Ce2Mn3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.385
_cell_length_b   5.385
_cell_length_c   8.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   212.259
_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
  Ce  Ce0  1  0.333  0.667  0.429  1.0
  Ce  Ce1  1  0.667  0.333  0.571  1.0
  Ce  Ce2  1  0.667  0.333  0.929  1.0
  Ce  Ce3  1  0.333  0.667  0.071  1.0
  Mn  Mn4  1  0.829  0.171  0.250  1.0
  Mn  Mn5  1  0.829  0.658  0.250  1.0
  Mn  Mn6  1  0.342  0.171  0.250  1.0
  Mn  Mn7  1  0.171  0.829  0.750  1.0
  Mn  Mn8  1  0.171  0.342  0.750  1.0
  Mn  Mn9  1  0.658  0.829  0.750  1.0
  Al  Al10  1  0.000  0.000  0.500  1.0
  Al  Al11  1  0.000  0.000  0.000  1.0
[/CIF]
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