The material structure described by Ta3Mn8Al is Hexagonal Laves-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Mn(1), three equivalent Mn(3), six equivalent Mn(4), and three equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(3), three equivalent Mn(2), three equivalent Mn(3), and six equivalent Mn(4) atoms. In the third Ta site, Ta(3) is bonded in a 16-coordinate geometry to three equivalent Ta(2), three equivalent Mn(2), three equivalent Mn(4), six equivalent Mn(3), and one Al(1) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Ta(1), three equivalent Mn(3), three equivalent Mn(4), and three equivalent Al(1) atoms to form MnTa3Mn6Al3 cuboctahedra that share corners with six equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, corners with six equivalent Mn(4)Ta5Mn6Al cuboctahedra, edges with six equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, faces with two equivalent Mn(2)Ta6Mn6 cuboctahedra, faces with nine equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, and faces with nine equivalent Mn(4)Ta5Mn6Al cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Ta(2), three equivalent Ta(3), three equivalent Mn(3), and three equivalent Mn(4) atoms to form MnTa6Mn6 cuboctahedra that share corners with six equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, corners with six equivalent Mn(4)Ta5Mn6Al cuboctahedra, edges with six equivalent Mn(2)Ta6Mn6 cuboctahedra, faces with two equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, faces with nine equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, and faces with nine equivalent Mn(4)Ta5Mn6Al cuboctahedra. In the third Mn site, Mn(3) is bonded to one Ta(1), one Ta(2), two equivalent Ta(3), one Mn(1), one Mn(2), four equivalent Mn(3), and two equivalent Al(1) atoms to form MnTa4Mn6Al2 cuboctahedra that share corners with two equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, corners with two equivalent Mn(2)Ta6Mn6 cuboctahedra, corners with four equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, corners with ten equivalent Mn(4)Ta5Mn6Al cuboctahedra, edges with two equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, edges with four equivalent Mn(4)Ta5Mn6Al cuboctahedra, faces with three equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, faces with three equivalent Mn(2)Ta6Mn6 cuboctahedra, faces with four equivalent Mn(4)Ta5Mn6Al cuboctahedra, and faces with eight equivalent Mn(3)Ta4Mn6Al2 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to one Ta(3), two equivalent Ta(1), two equivalent Ta(2), one Mn(1), one Mn(2), four equivalent Mn(4), and one Al(1) atom to form MnTa5Mn6Al cuboctahedra that share corners with two equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, corners with two equivalent Mn(2)Ta6Mn6 cuboctahedra, corners with four equivalent Mn(4)Ta5Mn6Al cuboctahedra, corners with ten equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, edges with two equivalent Mn(4)Ta5Mn6Al cuboctahedra, edges with four equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, faces with three equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, faces with three equivalent Mn(2)Ta6Mn6 cuboctahedra, faces with four equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, and faces with eight equivalent Mn(4)Ta5Mn6Al cuboctahedra. Al(1) is bonded in a 16-coordinate geometry to one Ta(3), three equivalent Ta(1), three equivalent Mn(1), three equivalent Mn(4), and six equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3Mn8Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   4.864
_cell_length_c   7.809
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   159.982
_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
  Ta  Ta0  1  0.000  0.000  0.560  1.0
  Ta  Ta1  1  0.000  0.000  0.939  1.0
  Ta  Ta2  1  0.667  0.333  0.069  1.0
  Mn  Mn3  1  0.333  0.667  0.500  1.0
  Mn  Mn4  1  0.333  0.667  0.995  1.0
  Mn  Mn5  1  0.165  0.835  0.251  1.0
  Mn  Mn6  1  0.165  0.330  0.251  1.0
  Mn  Mn7  1  0.670  0.835  0.251  1.0
  Mn  Mn8  1  0.504  0.496  0.748  1.0
  Mn  Mn9  1  0.504  0.008  0.748  1.0
  Mn  Mn10  1  0.992  0.496  0.748  1.0
  Al  Al11  1  0.667  0.333  0.438  1.0
[/CIF]
.
The material structure described by Ta3Mn8Al is Hexagonal Laves-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Mn(1), three equivalent Mn(3), six equivalent Mn(4), and three equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(3), three equivalent Mn(2), three equivalent Mn(3), and six equivalent Mn(4) atoms. In the third Ta site, Ta(3) is bonded in a 16-coordinate geometry to three equivalent Ta(2), three equivalent Mn(2), three equivalent Mn(4), six equivalent Mn(3), and one Al(1) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Ta(1), three equivalent Mn(3), three equivalent Mn(4), and three equivalent Al(1) atoms to form MnTa3Mn6Al3 cuboctahedra that share corners with six equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, corners with six equivalent Mn(4)Ta5Mn6Al cuboctahedra, edges with six equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, faces with two equivalent Mn(2)Ta6Mn6 cuboctahedra, faces with nine equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, and faces with nine equivalent Mn(4)Ta5Mn6Al cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Ta(2), three equivalent Ta(3), three equivalent Mn(3), and three equivalent Mn(4) atoms to form MnTa6Mn6 cuboctahedra that share corners with six equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, corners with six equivalent Mn(4)Ta5Mn6Al cuboctahedra, edges with six equivalent Mn(2)Ta6Mn6 cuboctahedra, faces with two equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, faces with nine equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, and faces with nine equivalent Mn(4)Ta5Mn6Al cuboctahedra. In the third Mn site, Mn(3) is bonded to one Ta(1), one Ta(2), two equivalent Ta(3), one Mn(1), one Mn(2), four equivalent Mn(3), and two equivalent Al(1) atoms to form MnTa4Mn6Al2 cuboctahedra that share corners with two equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, corners with two equivalent Mn(2)Ta6Mn6 cuboctahedra, corners with four equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, corners with ten equivalent Mn(4)Ta5Mn6Al cuboctahedra, edges with two equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, edges with four equivalent Mn(4)Ta5Mn6Al cuboctahedra, faces with three equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, faces with three equivalent Mn(2)Ta6Mn6 cuboctahedra, faces with four equivalent Mn(4)Ta5Mn6Al cuboctahedra, and faces with eight equivalent Mn(3)Ta4Mn6Al2 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to one Ta(3), two equivalent Ta(1), two equivalent Ta(2), one Mn(1), one Mn(2), four equivalent Mn(4), and one Al(1) atom to form MnTa5Mn6Al cuboctahedra that share corners with two equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, corners with two equivalent Mn(2)Ta6Mn6 cuboctahedra, corners with four equivalent Mn(4)Ta5Mn6Al cuboctahedra, corners with ten equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, edges with two equivalent Mn(4)Ta5Mn6Al cuboctahedra, edges with four equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, faces with three equivalent Mn(1)Ta3Mn6Al3 cuboctahedra, faces with three equivalent Mn(2)Ta6Mn6 cuboctahedra, faces with four equivalent Mn(3)Ta4Mn6Al2 cuboctahedra, and faces with eight equivalent Mn(4)Ta5Mn6Al cuboctahedra. Al(1) is bonded in a 16-coordinate geometry to one Ta(3), three equivalent Ta(1), three equivalent Mn(1), three equivalent Mn(4), and six equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3Mn8Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   4.864
_cell_length_c   7.809
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   159.982
_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
  Ta  Ta0  1  0.000  0.000  0.560  1.0
  Ta  Ta1  1  0.000  0.000  0.939  1.0
  Ta  Ta2  1  0.667  0.333  0.069  1.0
  Mn  Mn3  1  0.333  0.667  0.500  1.0
  Mn  Mn4  1  0.333  0.667  0.995  1.0
  Mn  Mn5  1  0.165  0.835  0.251  1.0
  Mn  Mn6  1  0.165  0.330  0.251  1.0
  Mn  Mn7  1  0.670  0.835  0.251  1.0
  Mn  Mn8  1  0.504  0.496  0.748  1.0
  Mn  Mn9  1  0.504  0.008  0.748  1.0
  Mn  Mn10  1  0.992  0.496  0.748  1.0
  Al  Al11  1  0.667  0.333  0.438  1.0
[/CIF]
.