The crystal structure described by In2AlN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. In(1) is bonded to one N(2) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with five equivalent Al(1)N4 tetrahedra and corners with seven equivalent In(1)N4 tetrahedra. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form AlN4 tetrahedra that share corners with two equivalent Al(1)N4 tetrahedra and corners with ten equivalent In(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent In(1) and two equivalent Al(1) atoms to form NAl2In2 tetrahedra that share corners with two equivalent N(2)Al2In2 tetrahedra and corners with ten equivalent N(1)AlIn3 tetrahedra. In the second N site, N(1) is bonded to three equivalent In(1) and one Al(1) atom to form NAlIn3 tetrahedra that share corners with five equivalent N(2)Al2In2 tetrahedra and corners with seven equivalent N(1)AlIn3 tetrahedra. is represented by the CIF file [CIF]
data_AlIn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.940
_cell_length_b   5.926
_cell_length_c   5.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.922
_symmetry_Int_Tables_number   1
_cell_volume   167.786
_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  0.000  0.659  0.489  1.0
  Al  Al1  1  0.000  0.341  0.989  1.0
  In  In2  1  0.324  0.335  0.487  1.0
  In  In3  1  0.676  0.012  0.487  1.0
  In  In4  1  0.676  0.665  0.987  1.0
  In  In5  1  0.324  0.988  0.987  1.0
  N  N6  1  0.302  0.333  0.886  1.0
  N  N7  1  0.698  0.031  0.886  1.0
  N  N8  1  0.698  0.667  0.386  1.0
  N  N9  1  0.302  0.969  0.386  1.0
  N  N10  1  0.000  0.631  0.837  1.0
  N  N11  1  0.000  0.369  0.337  1.0
[/CIF]
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The crystal structure described by In2AlN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. In(1) is bonded to one N(2) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with five equivalent Al(1)N4 tetrahedra and corners with seven equivalent In(1)N4 tetrahedra. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form AlN4 tetrahedra that share corners with two equivalent Al(1)N4 tetrahedra and corners with ten equivalent In(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent In(1) and two equivalent Al(1) atoms to form NAl2In2 tetrahedra that share corners with two equivalent N(2)Al2In2 tetrahedra and corners with ten equivalent N(1)AlIn3 tetrahedra. In the second N site, N(1) is bonded to three equivalent In(1) and one Al(1) atom to form NAlIn3 tetrahedra that share corners with five equivalent N(2)Al2In2 tetrahedra and corners with seven equivalent N(1)AlIn3 tetrahedra. is represented by the CIF file [CIF]
data_AlIn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.940
_cell_length_b   5.926
_cell_length_c   5.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.922
_symmetry_Int_Tables_number   1
_cell_volume   167.786
_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  0.000  0.659  0.489  1.0
  Al  Al1  1  0.000  0.341  0.989  1.0
  In  In2  1  0.324  0.335  0.487  1.0
  In  In3  1  0.676  0.012  0.487  1.0
  In  In4  1  0.676  0.665  0.987  1.0
  In  In5  1  0.324  0.988  0.987  1.0
  N  N6  1  0.302  0.333  0.886  1.0
  N  N7  1  0.698  0.031  0.886  1.0
  N  N8  1  0.698  0.667  0.386  1.0
  N  N9  1  0.302  0.969  0.386  1.0
  N  N10  1  0.000  0.631  0.837  1.0
  N  N11  1  0.000  0.369  0.337  1.0
[/CIF]
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