The crystal structure described by U2MnAl3 crystallizes in the trigonal R-3m space group. U(1) is bonded in a 15-coordinate geometry to three equivalent U(1), three equivalent Mn(1), and nine equivalent Al(1) atoms. Mn(1) is bonded to six equivalent U(1) and six equivalent Al(1) atoms to form MnU6Al6 cuboctahedra that share corners with six equivalent Mn(1)U6Al6 cuboctahedra, corners with twelve equivalent Al(1)U6Mn2Al4 cuboctahedra, edges with six equivalent Mn(1)U6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)U6Mn2Al4 cuboctahedra. Al(1) is bonded to six equivalent U(1), two equivalent Mn(1), and four equivalent Al(1) atoms to form AlU6Mn2Al4 cuboctahedra that share corners with four equivalent Mn(1)U6Al6 cuboctahedra, corners with fourteen equivalent Al(1)U6Mn2Al4 cuboctahedra, edges with six equivalent Al(1)U6Mn2Al4 cuboctahedra, faces with six equivalent Mn(1)U6Al6 cuboctahedra, and faces with twelve equivalent Al(1)U6Mn2Al4 cuboctahedra. is represented by the CIF card [CIF]
data_U2MnAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.461
_cell_length_b   5.461
_cell_length_c   5.461
_cell_angle_alpha   55.117
_cell_angle_beta   55.117
_cell_angle_gamma   55.117
_symmetry_Int_Tables_number   1
_cell_volume   102.074
_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
  U  U0  1  0.143  0.143  0.143  1.0
  U  U1  1  0.857  0.857  0.857  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Al  Al4  1  0.000  0.500  0.500  1.0
  Al  Al5  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by U2MnAl3 crystallizes in the trigonal R-3m space group. U(1) is bonded in a 15-coordinate geometry to three equivalent U(1), three equivalent Mn(1), and nine equivalent Al(1) atoms. Mn(1) is bonded to six equivalent U(1) and six equivalent Al(1) atoms to form MnU6Al6 cuboctahedra that share corners with six equivalent Mn(1)U6Al6 cuboctahedra, corners with twelve equivalent Al(1)U6Mn2Al4 cuboctahedra, edges with six equivalent Mn(1)U6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)U6Mn2Al4 cuboctahedra. Al(1) is bonded to six equivalent U(1), two equivalent Mn(1), and four equivalent Al(1) atoms to form AlU6Mn2Al4 cuboctahedra that share corners with four equivalent Mn(1)U6Al6 cuboctahedra, corners with fourteen equivalent Al(1)U6Mn2Al4 cuboctahedra, edges with six equivalent Al(1)U6Mn2Al4 cuboctahedra, faces with six equivalent Mn(1)U6Al6 cuboctahedra, and faces with twelve equivalent Al(1)U6Mn2Al4 cuboctahedra. is represented by the CIF card [CIF]
data_U2MnAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.461
_cell_length_b   5.461
_cell_length_c   5.461
_cell_angle_alpha   55.117
_cell_angle_beta   55.117
_cell_angle_gamma   55.117
_symmetry_Int_Tables_number   1
_cell_volume   102.074
_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
  U  U0  1  0.143  0.143  0.143  1.0
  U  U1  1  0.857  0.857  0.857  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Al  Al4  1  0.000  0.500  0.500  1.0
  Al  Al5  1  0.500  0.500  0.000  1.0
[/CIF]
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