The material structure described by Zr2AlN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 3-coordinate geometry to three equivalent Al(1) and three equivalent N(1) atoms. Al(1) is bonded in a 6-coordinate geometry to six equivalent Zr(1) atoms. N(1) is bonded to six equivalent Zr(1) atoms to form edge-sharing NZr6 octahedra. is represented by the CIF file [CIF]
data_Zr2AlN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.262
_cell_length_b   3.262
_cell_length_c   14.428
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   132.974
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.333  0.667  0.089  1.0
  Zr  Zr1  1  0.667  0.333  0.589  1.0
  Zr  Zr2  1  0.667  0.333  0.911  1.0
  Zr  Zr3  1  0.333  0.667  0.411  1.0
  Al  Al4  1  0.333  0.667  0.750  1.0
  Al  Al5  1  0.667  0.333  0.250  1.0
  N  N6  1  0.000  0.000  0.000  1.0
  N  N7  1  0.000  0.000  0.500  1.0
[/CIF]
.
The material structure described by Zr2AlN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 3-coordinate geometry to three equivalent Al(1) and three equivalent N(1) atoms. Al(1) is bonded in a 6-coordinate geometry to six equivalent Zr(1) atoms. N(1) is bonded to six equivalent Zr(1) atoms to form edge-sharing NZr6 octahedra. is represented by the CIF file [CIF]
data_Zr2AlN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.262
_cell_length_b   3.262
_cell_length_c   14.428
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   132.974
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.333  0.667  0.089  1.0
  Zr  Zr1  1  0.667  0.333  0.589  1.0
  Zr  Zr2  1  0.667  0.333  0.911  1.0
  Zr  Zr3  1  0.333  0.667  0.411  1.0
  Al  Al4  1  0.333  0.667  0.750  1.0
  Al  Al5  1  0.667  0.333  0.250  1.0
  N  N6  1  0.000  0.000  0.000  1.0
  N  N7  1  0.000  0.000  0.500  1.0
[/CIF]
.