The material structure described by KAlN4 is Zircon-like structured and crystallizes in the orthorhombic C222_1 space group. K(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. Al(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Al(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   5.583
_cell_length_c   9.692
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.605
_symmetry_Int_Tables_number   1
_cell_volume   257.257
_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
  K  K0  1  0.780  0.220  0.250  1.0
  K  K1  1  0.220  0.780  0.750  1.0
  Al  Al2  1  0.545  0.545  0.500  1.0
  Al  Al3  1  0.455  0.455  0.000  1.0
  N  N4  1  0.767  0.725  0.338  1.0
  N  N5  1  0.275  0.233  0.162  1.0
  N  N6  1  0.233  0.275  0.838  1.0
  N  N7  1  0.725  0.767  0.662  1.0
  N  N8  1  0.503  0.183  0.524  1.0
  N  N9  1  0.817  0.497  0.976  1.0
  N  N10  1  0.497  0.817  0.024  1.0
  N  N11  1  0.183  0.503  0.476  1.0
[/CIF]
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The material structure described by KAlN4 is Zircon-like structured and crystallizes in the orthorhombic C222_1 space group. K(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. Al(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Al(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   5.583
_cell_length_c   9.692
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.605
_symmetry_Int_Tables_number   1
_cell_volume   257.257
_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
  K  K0  1  0.780  0.220  0.250  1.0
  K  K1  1  0.220  0.780  0.750  1.0
  Al  Al2  1  0.545  0.545  0.500  1.0
  Al  Al3  1  0.455  0.455  0.000  1.0
  N  N4  1  0.767  0.725  0.338  1.0
  N  N5  1  0.275  0.233  0.162  1.0
  N  N6  1  0.233  0.275  0.838  1.0
  N  N7  1  0.725  0.767  0.662  1.0
  N  N8  1  0.503  0.183  0.524  1.0
  N  N9  1  0.817  0.497  0.976  1.0
  N  N10  1  0.497  0.817  0.024  1.0
  N  N11  1  0.183  0.503  0.476  1.0
[/CIF]
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