The compound described by Nb3Mn8Al is Hexagonal Laves-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Mn(1), three equivalent Mn(3), six equivalent Mn(4), and three equivalent Al(1) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(3), three equivalent Mn(2), three equivalent Mn(3), and six equivalent Mn(4) atoms. In the third Nb site, Nb(3) is bonded in a 16-coordinate geometry to three equivalent Nb(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 Nb(1), three equivalent Mn(3), three equivalent Mn(4), and three equivalent Al(1) atoms to form MnMn6Nb3Al3 cuboctahedra that share corners with six equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, corners with six equivalent Mn(4)Mn6Nb5Al cuboctahedra, edges with six equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, faces with two equivalent Mn(2)Mn6Nb6 cuboctahedra, faces with nine equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, and faces with nine equivalent Mn(4)Mn6Nb5Al cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Nb(2), three equivalent Nb(3), three equivalent Mn(3), and three equivalent Mn(4) atoms to form MnMn6Nb6 cuboctahedra that share corners with six equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, corners with six equivalent Mn(4)Mn6Nb5Al cuboctahedra, edges with six equivalent Mn(2)Mn6Nb6 cuboctahedra, faces with two equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, faces with nine equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, and faces with nine equivalent Mn(4)Mn6Nb5Al cuboctahedra. In the third Mn site, Mn(3) is bonded to one Nb(1), one Nb(2), two equivalent Nb(3), one Mn(1), one Mn(2), four equivalent Mn(3), and two equivalent Al(1) atoms to form MnMn6Nb4Al2 cuboctahedra that share corners with two equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, corners with two equivalent Mn(2)Mn6Nb6 cuboctahedra, corners with four equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, corners with ten equivalent Mn(4)Mn6Nb5Al cuboctahedra, edges with two equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, edges with four equivalent Mn(4)Mn6Nb5Al cuboctahedra, faces with three equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, faces with three equivalent Mn(2)Mn6Nb6 cuboctahedra, faces with four equivalent Mn(4)Mn6Nb5Al cuboctahedra, and faces with eight equivalent Mn(3)Mn6Nb4Al2 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to one Nb(3), two equivalent Nb(1), two equivalent Nb(2), one Mn(1), one Mn(2), four equivalent Mn(4), and one Al(1) atom to form MnMn6Nb5Al cuboctahedra that share corners with two equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, corners with two equivalent Mn(2)Mn6Nb6 cuboctahedra, corners with four equivalent Mn(4)Mn6Nb5Al cuboctahedra, corners with ten equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, edges with two equivalent Mn(4)Mn6Nb5Al cuboctahedra, edges with four equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, faces with three equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, faces with three equivalent Mn(2)Mn6Nb6 cuboctahedra, faces with four equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, and faces with eight equivalent Mn(4)Mn6Nb5Al cuboctahedra. Al(1) is bonded in a 16-coordinate geometry to one Nb(3), three equivalent Nb(1), three equivalent Mn(1), three equivalent Mn(4), and six equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Mn8Nb3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.899
_cell_length_b   4.899
_cell_length_c   7.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   163.202
_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
  Mn  Mn0  1  0.333  0.667  0.500  1.0
  Mn  Mn1  1  0.333  0.667  0.005  1.0
  Mn  Mn2  1  0.501  0.002  0.749  1.0
  Mn  Mn3  1  0.501  0.499  0.749  1.0
  Mn  Mn4  1  0.998  0.499  0.749  1.0
  Mn  Mn5  1  0.163  0.326  0.252  1.0
  Mn  Mn6  1  0.163  0.837  0.252  1.0
  Mn  Mn7  1  0.674  0.837  0.252  1.0
  Nb  Nb8  1  0.667  0.333  0.442  1.0
  Nb  Nb9  1  0.667  0.333  0.060  1.0
  Nb  Nb10  1  0.000  1.000  0.930  1.0
  Al  Al11  1  1.000  1.000  0.562  1.0
[/CIF]
.
The compound described by Nb3Mn8Al is Hexagonal Laves-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Mn(1), three equivalent Mn(3), six equivalent Mn(4), and three equivalent Al(1) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(3), three equivalent Mn(2), three equivalent Mn(3), and six equivalent Mn(4) atoms. In the third Nb site, Nb(3) is bonded in a 16-coordinate geometry to three equivalent Nb(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 Nb(1), three equivalent Mn(3), three equivalent Mn(4), and three equivalent Al(1) atoms to form MnMn6Nb3Al3 cuboctahedra that share corners with six equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, corners with six equivalent Mn(4)Mn6Nb5Al cuboctahedra, edges with six equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, faces with two equivalent Mn(2)Mn6Nb6 cuboctahedra, faces with nine equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, and faces with nine equivalent Mn(4)Mn6Nb5Al cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Nb(2), three equivalent Nb(3), three equivalent Mn(3), and three equivalent Mn(4) atoms to form MnMn6Nb6 cuboctahedra that share corners with six equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, corners with six equivalent Mn(4)Mn6Nb5Al cuboctahedra, edges with six equivalent Mn(2)Mn6Nb6 cuboctahedra, faces with two equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, faces with nine equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, and faces with nine equivalent Mn(4)Mn6Nb5Al cuboctahedra. In the third Mn site, Mn(3) is bonded to one Nb(1), one Nb(2), two equivalent Nb(3), one Mn(1), one Mn(2), four equivalent Mn(3), and two equivalent Al(1) atoms to form MnMn6Nb4Al2 cuboctahedra that share corners with two equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, corners with two equivalent Mn(2)Mn6Nb6 cuboctahedra, corners with four equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, corners with ten equivalent Mn(4)Mn6Nb5Al cuboctahedra, edges with two equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, edges with four equivalent Mn(4)Mn6Nb5Al cuboctahedra, faces with three equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, faces with three equivalent Mn(2)Mn6Nb6 cuboctahedra, faces with four equivalent Mn(4)Mn6Nb5Al cuboctahedra, and faces with eight equivalent Mn(3)Mn6Nb4Al2 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to one Nb(3), two equivalent Nb(1), two equivalent Nb(2), one Mn(1), one Mn(2), four equivalent Mn(4), and one Al(1) atom to form MnMn6Nb5Al cuboctahedra that share corners with two equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, corners with two equivalent Mn(2)Mn6Nb6 cuboctahedra, corners with four equivalent Mn(4)Mn6Nb5Al cuboctahedra, corners with ten equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, edges with two equivalent Mn(4)Mn6Nb5Al cuboctahedra, edges with four equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, faces with three equivalent Mn(1)Mn6Nb3Al3 cuboctahedra, faces with three equivalent Mn(2)Mn6Nb6 cuboctahedra, faces with four equivalent Mn(3)Mn6Nb4Al2 cuboctahedra, and faces with eight equivalent Mn(4)Mn6Nb5Al cuboctahedra. Al(1) is bonded in a 16-coordinate geometry to one Nb(3), three equivalent Nb(1), three equivalent Mn(1), three equivalent Mn(4), and six equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Mn8Nb3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.899
_cell_length_b   4.899
_cell_length_c   7.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   163.202
_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
  Mn  Mn0  1  0.333  0.667  0.500  1.0
  Mn  Mn1  1  0.333  0.667  0.005  1.0
  Mn  Mn2  1  0.501  0.002  0.749  1.0
  Mn  Mn3  1  0.501  0.499  0.749  1.0
  Mn  Mn4  1  0.998  0.499  0.749  1.0
  Mn  Mn5  1  0.163  0.326  0.252  1.0
  Mn  Mn6  1  0.163  0.837  0.252  1.0
  Mn  Mn7  1  0.674  0.837  0.252  1.0
  Nb  Nb8  1  0.667  0.333  0.442  1.0
  Nb  Nb9  1  0.667  0.333  0.060  1.0
  Nb  Nb10  1  0.000  1.000  0.930  1.0
  Al  Al11  1  1.000  1.000  0.562  1.0
[/CIF]
.