The compound described by NiAl2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ni(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form NiN4 tetrahedra that share corners with two equivalent Ni(1)N4 tetrahedra and corners with ten equivalent Al(1)N4 tetrahedra. Al(1) is bonded to one N(2) and three equivalent N(1) atoms to form AlN4 tetrahedra that share corners with five equivalent Ni(1)N4 tetrahedra and corners with seven equivalent Al(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ni(1) and three equivalent Al(1) atoms to form NAl3Ni tetrahedra that share corners with five equivalent N(2)Al2Ni2 tetrahedra and corners with seven equivalent N(1)Al3Ni tetrahedra. In the second N site, N(2) is bonded to two equivalent Ni(1) and two equivalent Al(1) atoms to form NAl2Ni2 tetrahedra that share corners with two equivalent N(2)Al2Ni2 tetrahedra and corners with ten equivalent N(1)Al3Ni tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2NiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.444
_cell_length_b   5.489
_cell_length_c   4.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.270
_symmetry_Int_Tables_number   1
_cell_volume   128.310
_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
  Al  Al0  1  0.338  0.331  0.492  1.0
  Al  Al1  1  0.662  0.993  0.492  1.0
  Al  Al2  1  0.662  0.669  0.992  1.0
  Al  Al3  1  0.338  0.007  0.992  1.0
  Ni  Ni4  1  0.000  0.646  0.495  1.0
  Ni  Ni5  1  0.000  0.354  0.995  1.0
  N  N6  1  0.340  0.333  0.872  1.0
  N  N7  1  0.660  0.993  0.872  1.0
  N  N8  1  0.660  0.667  0.372  1.0
  N  N9  1  0.340  0.007  0.372  1.0
  N  N10  1  0.000  0.679  0.865  1.0
  N  N11  1  0.000  0.321  0.365  1.0
[/CIF]
.
The compound described by NiAl2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ni(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form NiN4 tetrahedra that share corners with two equivalent Ni(1)N4 tetrahedra and corners with ten equivalent Al(1)N4 tetrahedra. Al(1) is bonded to one N(2) and three equivalent N(1) atoms to form AlN4 tetrahedra that share corners with five equivalent Ni(1)N4 tetrahedra and corners with seven equivalent Al(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ni(1) and three equivalent Al(1) atoms to form NAl3Ni tetrahedra that share corners with five equivalent N(2)Al2Ni2 tetrahedra and corners with seven equivalent N(1)Al3Ni tetrahedra. In the second N site, N(2) is bonded to two equivalent Ni(1) and two equivalent Al(1) atoms to form NAl2Ni2 tetrahedra that share corners with two equivalent N(2)Al2Ni2 tetrahedra and corners with ten equivalent N(1)Al3Ni tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2NiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.444
_cell_length_b   5.489
_cell_length_c   4.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.270
_symmetry_Int_Tables_number   1
_cell_volume   128.310
_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
  Al  Al0  1  0.338  0.331  0.492  1.0
  Al  Al1  1  0.662  0.993  0.492  1.0
  Al  Al2  1  0.662  0.669  0.992  1.0
  Al  Al3  1  0.338  0.007  0.992  1.0
  Ni  Ni4  1  0.000  0.646  0.495  1.0
  Ni  Ni5  1  0.000  0.354  0.995  1.0
  N  N6  1  0.340  0.333  0.872  1.0
  N  N7  1  0.660  0.993  0.872  1.0
  N  N8  1  0.660  0.667  0.372  1.0
  N  N9  1  0.340  0.007  0.372  1.0
  N  N10  1  0.000  0.679  0.865  1.0
  N  N11  1  0.000  0.321  0.365  1.0
[/CIF]
.