The structure described by KAlN4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(2) and two equivalent N(3) atoms. Al(1) is bonded in a distorted single-bond geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Al(1) and two equivalent N(3) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Al(1) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one K(1), one Al(1), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.889
_cell_length_c   9.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   624.089
_cell_formula_units_Z   4
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  0.192  0.750  0.227  1.0
  K  K1  1  0.308  0.750  0.727  1.0
  K  K2  1  0.808  0.250  0.773  1.0
  K  K3  1  0.692  0.250  0.273  1.0
  Al  Al4  1  0.570  0.750  0.417  1.0
  Al  Al5  1  0.930  0.750  0.917  1.0
  Al  Al6  1  0.430  0.250  0.583  1.0
  Al  Al7  1  0.070  0.250  0.083  1.0
  N  N8  1  0.762  0.750  0.264  1.0
  N  N9  1  0.738  0.750  0.764  1.0
  N  N10  1  0.238  0.250  0.736  1.0
  N  N11  1  0.262  0.250  0.236  1.0
  N  N12  1  0.361  0.750  0.459  1.0
  N  N13  1  0.139  0.750  0.959  1.0
  N  N14  1  0.639  0.250  0.541  1.0
  N  N15  1  0.861  0.250  0.041  1.0
  N  N16  1  0.750  0.901  0.275  1.0
  N  N17  1  0.750  0.599  0.775  1.0
  N  N18  1  0.250  0.401  0.725  1.0
  N  N19  1  0.250  0.099  0.225  1.0
  N  N20  1  0.250  0.099  0.725  1.0
  N  N21  1  0.250  0.401  0.225  1.0
  N  N22  1  0.750  0.599  0.275  1.0
  N  N23  1  0.750  0.901  0.775  1.0
[/CIF]
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The structure described by KAlN4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(2) and two equivalent N(3) atoms. Al(1) is bonded in a distorted single-bond geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Al(1) and two equivalent N(3) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Al(1) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one K(1), one Al(1), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.889
_cell_length_c   9.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   624.089
_cell_formula_units_Z   4
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  0.192  0.750  0.227  1.0
  K  K1  1  0.308  0.750  0.727  1.0
  K  K2  1  0.808  0.250  0.773  1.0
  K  K3  1  0.692  0.250  0.273  1.0
  Al  Al4  1  0.570  0.750  0.417  1.0
  Al  Al5  1  0.930  0.750  0.917  1.0
  Al  Al6  1  0.430  0.250  0.583  1.0
  Al  Al7  1  0.070  0.250  0.083  1.0
  N  N8  1  0.762  0.750  0.264  1.0
  N  N9  1  0.738  0.750  0.764  1.0
  N  N10  1  0.238  0.250  0.736  1.0
  N  N11  1  0.262  0.250  0.236  1.0
  N  N12  1  0.361  0.750  0.459  1.0
  N  N13  1  0.139  0.750  0.959  1.0
  N  N14  1  0.639  0.250  0.541  1.0
  N  N15  1  0.861  0.250  0.041  1.0
  N  N16  1  0.750  0.901  0.275  1.0
  N  N17  1  0.750  0.599  0.775  1.0
  N  N18  1  0.250  0.401  0.725  1.0
  N  N19  1  0.250  0.099  0.225  1.0
  N  N20  1  0.250  0.099  0.725  1.0
  N  N21  1  0.250  0.401  0.225  1.0
  N  N22  1  0.750  0.599  0.275  1.0
  N  N23  1  0.750  0.901  0.775  1.0
[/CIF]
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