The material described by BaNi2Al9 crystallizes in the hexagonal P6/mmm space group. Ba(1) is bonded to twelve equivalent Al(2) atoms to form face-sharing BaAl12 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a linear geometry to two equivalent Ni(1) and eight equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Ba(1), two equivalent Ni(1), four equivalent Al(1), and four equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaAl9Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.907
_cell_length_b   7.907
_cell_length_c   3.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   214.397
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.000  0.000  1.0
  Al  Al2  1  0.500  0.500  0.000  1.0
  Al  Al3  1  0.000  0.500  0.000  1.0
  Al  Al4  1  0.215  0.430  0.500  1.0
  Al  Al5  1  0.785  0.215  0.500  1.0
  Al  Al6  1  0.430  0.215  0.500  1.0
  Al  Al7  1  0.570  0.785  0.500  1.0
  Al  Al8  1  0.215  0.785  0.500  1.0
  Al  Al9  1  0.785  0.570  0.500  1.0
  Ni  Ni10  1  0.667  0.333  0.000  1.0
  Ni  Ni11  1  0.333  0.667  0.000  1.0
[/CIF]
.
The material described by BaNi2Al9 crystallizes in the hexagonal P6/mmm space group. Ba(1) is bonded to twelve equivalent Al(2) atoms to form face-sharing BaAl12 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a linear geometry to two equivalent Ni(1) and eight equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Ba(1), two equivalent Ni(1), four equivalent Al(1), and four equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaAl9Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.907
_cell_length_b   7.907
_cell_length_c   3.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   214.397
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.000  0.000  1.0
  Al  Al2  1  0.500  0.500  0.000  1.0
  Al  Al3  1  0.000  0.500  0.000  1.0
  Al  Al4  1  0.215  0.430  0.500  1.0
  Al  Al5  1  0.785  0.215  0.500  1.0
  Al  Al6  1  0.430  0.215  0.500  1.0
  Al  Al7  1  0.570  0.785  0.500  1.0
  Al  Al8  1  0.215  0.785  0.500  1.0
  Al  Al9  1  0.785  0.570  0.500  1.0
  Ni  Ni10  1  0.667  0.333  0.000  1.0
  Ni  Ni11  1  0.333  0.667  0.000  1.0
[/CIF]
.