The material described by NiAl crystallizes in the monoclinic C2/m space group. Ni(1) is bonded in a 6-coordinate geometry to six equivalent Al(1) atoms. Al(1) is bonded in a 6-coordinate geometry to six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.690
_cell_length_b   2.690
_cell_length_c   4.111
_cell_angle_alpha   73.611
_cell_angle_beta   73.611
_cell_angle_gamma   62.449
_symmetry_Int_Tables_number   1
_cell_volume   24.905
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material described by NiAl crystallizes in the monoclinic C2/m space group. Ni(1) is bonded in a 6-coordinate geometry to six equivalent Al(1) atoms. Al(1) is bonded in a 6-coordinate geometry to six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.690
_cell_length_b   2.690
_cell_length_c   4.111
_cell_angle_alpha   73.611
_cell_angle_beta   73.611
_cell_angle_gamma   62.449
_symmetry_Int_Tables_number   1
_cell_volume   24.905
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
[/CIF]
.