The structure described by KBaN3 is Corundum-derived structured and crystallizes in the orthorhombic F222 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to two equivalent N(1) and four equivalent N(4) atoms to form KN6 octahedra that share corners with two equivalent Ba(1)N6 octahedra, corners with four equivalent Ba(3)N6 octahedra, edges with two equivalent Ba(1)N6 octahedra, and edges with four equivalent K(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second K site, K(2) is bonded to two equivalent N(2) and four equivalent N(3) atoms to form KN6 octahedra that share corners with two equivalent Ba(2)N6 octahedra, edges with two equivalent K(3)N6 octahedra, edges with two equivalent Ba(2)N6 octahedra, and edges with four equivalent Ba(3)N6 octahedra. The corner-sharing octahedra are not tilted. In the third K site, K(3) is bonded to two equivalent N(1), two equivalent N(3), and two equivalent N(4) atoms to form KN6 octahedra that share corners with two equivalent K(3)N6 octahedra, corners with two equivalent Ba(2)N6 octahedra,  an edgeedge with one K(2)N6 octahedra, edges with two equivalent K(1)N6 octahedra, edges with two equivalent Ba(1)N6 octahedra, and edges with two equivalent Ba(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent N(1) and four equivalent N(4) atoms to form BaN6 octahedra that share corners with two equivalent K(1)N6 octahedra, edges with two equivalent K(1)N6 octahedra, edges with two equivalent Ba(3)N6 octahedra, and edges with four equivalent K(3)N6 octahedra. The corner-sharing octahedra are not tilted. In the second Ba site, Ba(2) is bonded to two equivalent N(2) and four equivalent N(3) atoms to form BaN6 octahedra that share corners with two equivalent K(2)N6 octahedra, corners with four equivalent K(3)N6 octahedra, edges with two equivalent K(2)N6 octahedra, and edges with four equivalent Ba(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third Ba site, Ba(3) is bonded to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms to form BaN6 octahedra that share corners with two equivalent K(1)N6 octahedra, corners with two equivalent Ba(3)N6 octahedra,  an edgeedge with one Ba(1)N6 octahedra, edges with two equivalent K(2)N6 octahedra, edges with two equivalent K(3)N6 octahedra, and edges with two equivalent Ba(2)N6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are four inequivalent N sites. In the first N site, N(1) is bonded in a square co-planar geometry to one K(1), two equivalent K(3), and one Ba(1) atom. In the second N site, N(2) is bonded in a square co-planar geometry to one K(2), one Ba(2), and two equivalent Ba(3) atoms. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one K(2), one K(3), one Ba(2), and one Ba(3) atom. In the fourth N site, N(4) is bonded in a see-saw-like geometry to one K(1), one K(3), one Ba(1), and one Ba(3) atom. is represented by the CIF file [CIF]
data_KBaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.061
_cell_length_b   13.342
_cell_length_c   7.195
_cell_angle_alpha   80.385
_cell_angle_beta   69.316
_cell_angle_gamma   30.299
_symmetry_Int_Tables_number   1
_cell_volume   609.312
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  K  K2  1  0.091  0.091  0.409  1.0
  K  K3  1  0.409  0.409  0.091  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Ba  Ba5  1  0.750  0.750  0.750  1.0
  Ba  Ba6  1  0.830  0.830  0.170  1.0
  Ba  Ba7  1  0.170  0.170  0.830  1.0
  N  N8  1  0.236  0.764  0.236  1.0
  N  N9  1  0.764  0.236  0.764  1.0
  N  N10  1  0.518  0.982  0.518  1.0
  N  N11  1  0.982  0.518  0.982  1.0
  N  N12  1  0.048  0.596  0.397  1.0
  N  N13  1  0.596  0.048  0.959  1.0
  N  N14  1  0.397  0.959  0.048  1.0
  N  N15  1  0.959  0.397  0.596  1.0
  N  N16  1  0.688  0.147  0.264  1.0
  N  N17  1  0.147  0.688  0.901  1.0
  N  N18  1  0.264  0.901  0.688  1.0
  N  N19  1  0.901  0.264  0.147  1.0
[/CIF]
.
The structure described by KBaN3 is Corundum-derived structured and crystallizes in the orthorhombic F222 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to two equivalent N(1) and four equivalent N(4) atoms to form KN6 octahedra that share corners with two equivalent Ba(1)N6 octahedra, corners with four equivalent Ba(3)N6 octahedra, edges with two equivalent Ba(1)N6 octahedra, and edges with four equivalent K(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second K site, K(2) is bonded to two equivalent N(2) and four equivalent N(3) atoms to form KN6 octahedra that share corners with two equivalent Ba(2)N6 octahedra, edges with two equivalent K(3)N6 octahedra, edges with two equivalent Ba(2)N6 octahedra, and edges with four equivalent Ba(3)N6 octahedra. The corner-sharing octahedra are not tilted. In the third K site, K(3) is bonded to two equivalent N(1), two equivalent N(3), and two equivalent N(4) atoms to form KN6 octahedra that share corners with two equivalent K(3)N6 octahedra, corners with two equivalent Ba(2)N6 octahedra,  an edgeedge with one K(2)N6 octahedra, edges with two equivalent K(1)N6 octahedra, edges with two equivalent Ba(1)N6 octahedra, and edges with two equivalent Ba(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent N(1) and four equivalent N(4) atoms to form BaN6 octahedra that share corners with two equivalent K(1)N6 octahedra, edges with two equivalent K(1)N6 octahedra, edges with two equivalent Ba(3)N6 octahedra, and edges with four equivalent K(3)N6 octahedra. The corner-sharing octahedra are not tilted. In the second Ba site, Ba(2) is bonded to two equivalent N(2) and four equivalent N(3) atoms to form BaN6 octahedra that share corners with two equivalent K(2)N6 octahedra, corners with four equivalent K(3)N6 octahedra, edges with two equivalent K(2)N6 octahedra, and edges with four equivalent Ba(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third Ba site, Ba(3) is bonded to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms to form BaN6 octahedra that share corners with two equivalent K(1)N6 octahedra, corners with two equivalent Ba(3)N6 octahedra,  an edgeedge with one Ba(1)N6 octahedra, edges with two equivalent K(2)N6 octahedra, edges with two equivalent K(3)N6 octahedra, and edges with two equivalent Ba(2)N6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are four inequivalent N sites. In the first N site, N(1) is bonded in a square co-planar geometry to one K(1), two equivalent K(3), and one Ba(1) atom. In the second N site, N(2) is bonded in a square co-planar geometry to one K(2), one Ba(2), and two equivalent Ba(3) atoms. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one K(2), one K(3), one Ba(2), and one Ba(3) atom. In the fourth N site, N(4) is bonded in a see-saw-like geometry to one K(1), one K(3), one Ba(1), and one Ba(3) atom. is represented by the CIF file [CIF]
data_KBaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.061
_cell_length_b   13.342
_cell_length_c   7.195
_cell_angle_alpha   80.385
_cell_angle_beta   69.316
_cell_angle_gamma   30.299
_symmetry_Int_Tables_number   1
_cell_volume   609.312
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  K  K2  1  0.091  0.091  0.409  1.0
  K  K3  1  0.409  0.409  0.091  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Ba  Ba5  1  0.750  0.750  0.750  1.0
  Ba  Ba6  1  0.830  0.830  0.170  1.0
  Ba  Ba7  1  0.170  0.170  0.830  1.0
  N  N8  1  0.236  0.764  0.236  1.0
  N  N9  1  0.764  0.236  0.764  1.0
  N  N10  1  0.518  0.982  0.518  1.0
  N  N11  1  0.982  0.518  0.982  1.0
  N  N12  1  0.048  0.596  0.397  1.0
  N  N13  1  0.596  0.048  0.959  1.0
  N  N14  1  0.397  0.959  0.048  1.0
  N  N15  1  0.959  0.397  0.596  1.0
  N  N16  1  0.688  0.147  0.264  1.0
  N  N17  1  0.147  0.688  0.901  1.0
  N  N18  1  0.264  0.901  0.688  1.0
  N  N19  1  0.901  0.264  0.147  1.0
[/CIF]
.