The crystal structure described by CeMnAl is Cubic Laves-derived structured and crystallizes in the orthorhombic Imma space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Ce(1), six equivalent Mn(1), and six equivalent Al(1) atoms. Mn(1) is bonded to six equivalent Ce(1), two equivalent Mn(1), and four equivalent Al(1) atoms to form MnCe6Mn2Al4 cuboctahedra that share corners with eight equivalent Al(1)Ce6Mn4Al2 cuboctahedra, corners with ten equivalent Mn(1)Ce6Mn2Al4 cuboctahedra, edges with six equivalent Mn(1)Ce6Mn2Al4 cuboctahedra, faces with six equivalent Mn(1)Ce6Mn2Al4 cuboctahedra, and faces with twelve equivalent Al(1)Ce6Mn4Al2 cuboctahedra. Al(1) is bonded to six equivalent Ce(1), four equivalent Mn(1), and two equivalent Al(1) atoms to form AlCe6Mn4Al2 cuboctahedra that share corners with eight equivalent Mn(1)Ce6Mn2Al4 cuboctahedra, corners with ten equivalent Al(1)Ce6Mn4Al2 cuboctahedra, edges with six equivalent Al(1)Ce6Mn4Al2 cuboctahedra, faces with six equivalent Al(1)Ce6Mn4Al2 cuboctahedra, and faces with twelve equivalent Mn(1)Ce6Mn2Al4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMnAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.416
_cell_length_b   5.512
_cell_length_c   5.477
_cell_angle_alpha   90.000
_cell_angle_beta   59.627
_cell_angle_gamma   120.585
_symmetry_Int_Tables_number   1
_cell_volume   113.931
_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  0.222  0.111  0.139  1.0
  Ce  Ce1  1  0.778  0.889  0.861  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Al  Al4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by CeMnAl is Cubic Laves-derived structured and crystallizes in the orthorhombic Imma space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Ce(1), six equivalent Mn(1), and six equivalent Al(1) atoms. Mn(1) is bonded to six equivalent Ce(1), two equivalent Mn(1), and four equivalent Al(1) atoms to form MnCe6Mn2Al4 cuboctahedra that share corners with eight equivalent Al(1)Ce6Mn4Al2 cuboctahedra, corners with ten equivalent Mn(1)Ce6Mn2Al4 cuboctahedra, edges with six equivalent Mn(1)Ce6Mn2Al4 cuboctahedra, faces with six equivalent Mn(1)Ce6Mn2Al4 cuboctahedra, and faces with twelve equivalent Al(1)Ce6Mn4Al2 cuboctahedra. Al(1) is bonded to six equivalent Ce(1), four equivalent Mn(1), and two equivalent Al(1) atoms to form AlCe6Mn4Al2 cuboctahedra that share corners with eight equivalent Mn(1)Ce6Mn2Al4 cuboctahedra, corners with ten equivalent Al(1)Ce6Mn4Al2 cuboctahedra, edges with six equivalent Al(1)Ce6Mn4Al2 cuboctahedra, faces with six equivalent Al(1)Ce6Mn4Al2 cuboctahedra, and faces with twelve equivalent Mn(1)Ce6Mn2Al4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMnAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.416
_cell_length_b   5.512
_cell_length_c   5.477
_cell_angle_alpha   90.000
_cell_angle_beta   59.627
_cell_angle_gamma   120.585
_symmetry_Int_Tables_number   1
_cell_volume   113.931
_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  0.222  0.111  0.139  1.0
  Ce  Ce1  1  0.778  0.889  0.861  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Al  Al4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.000  0.500  0.500  1.0
[/CIF]
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