The compound described by Tb2Mn3Al is Hexagonal Laves-derived structured and crystallizes in the trigonal R-3m space group. Tb(1) is bonded in a 16-coordinate geometry to four equivalent Tb(1), nine equivalent Mn(1), and three equivalent Al(1) atoms. Mn(1) is bonded to six equivalent Tb(1), four equivalent Mn(1), and two equivalent Al(1) atoms to form MnTb6Mn4Al2 cuboctahedra that share corners with four equivalent Al(1)Tb6Mn6 cuboctahedra, corners with fourteen equivalent Mn(1)Tb6Mn4Al2 cuboctahedra, edges with six equivalent Mn(1)Tb6Mn4Al2 cuboctahedra, faces with six equivalent Al(1)Tb6Mn6 cuboctahedra, and faces with twelve equivalent Mn(1)Tb6Mn4Al2 cuboctahedra. Al(1) is bonded to six equivalent Tb(1) and six equivalent Mn(1) atoms to form AlTb6Mn6 cuboctahedra that share corners with six equivalent Al(1)Tb6Mn6 cuboctahedra, corners with twelve equivalent Mn(1)Tb6Mn4Al2 cuboctahedra, edges with six equivalent Al(1)Tb6Mn6 cuboctahedra, and faces with eighteen equivalent Mn(1)Tb6Mn4Al2 cuboctahedra. is represented by the CIF file [CIF]
data_Tb2Mn3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.448
_cell_length_b   5.336
_cell_length_c   5.448
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.699
_symmetry_Int_Tables_number   1
_cell_volume   110.800
_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
  Tb  Tb0  1  0.748  0.371  0.376  1.0
  Tb  Tb1  1  0.252  0.629  0.624  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Tb2Mn3Al is Hexagonal Laves-derived structured and crystallizes in the trigonal R-3m space group. Tb(1) is bonded in a 16-coordinate geometry to four equivalent Tb(1), nine equivalent Mn(1), and three equivalent Al(1) atoms. Mn(1) is bonded to six equivalent Tb(1), four equivalent Mn(1), and two equivalent Al(1) atoms to form MnTb6Mn4Al2 cuboctahedra that share corners with four equivalent Al(1)Tb6Mn6 cuboctahedra, corners with fourteen equivalent Mn(1)Tb6Mn4Al2 cuboctahedra, edges with six equivalent Mn(1)Tb6Mn4Al2 cuboctahedra, faces with six equivalent Al(1)Tb6Mn6 cuboctahedra, and faces with twelve equivalent Mn(1)Tb6Mn4Al2 cuboctahedra. Al(1) is bonded to six equivalent Tb(1) and six equivalent Mn(1) atoms to form AlTb6Mn6 cuboctahedra that share corners with six equivalent Al(1)Tb6Mn6 cuboctahedra, corners with twelve equivalent Mn(1)Tb6Mn4Al2 cuboctahedra, edges with six equivalent Al(1)Tb6Mn6 cuboctahedra, and faces with eighteen equivalent Mn(1)Tb6Mn4Al2 cuboctahedra. is represented by the CIF file [CIF]
data_Tb2Mn3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.448
_cell_length_b   5.336
_cell_length_c   5.448
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.699
_symmetry_Int_Tables_number   1
_cell_volume   110.800
_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
  Tb  Tb0  1  0.748  0.371  0.376  1.0
  Tb  Tb1  1  0.252  0.629  0.624  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.000  1.0
[/CIF]
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