The compound described by K3SmN6 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. In the second K site, K(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted KN6 octahedra that share corners with two equivalent Sm(1)N6 octahedra, edges with two equivalent Sm(1)N6 octahedra, and edges with three equivalent K(2)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. Sm(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form SmN6 octahedra that share corners with four equivalent K(2)N6 octahedra and edges with four equivalent K(2)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent K(2), and one Sm(1) atom. In the second N site, N(2) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent K(2), and one Sm(1) atom. is represented by the CIF file [CIF]
data_K3SmN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.317
_cell_length_b   7.317
_cell_length_c   6.252
_cell_angle_alpha   78.700
_cell_angle_beta   78.700
_cell_angle_gamma   118.669
_symmetry_Int_Tables_number   1
_cell_volume   271.140
_cell_formula_units_Z   1
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  0.805  0.195  0.500  1.0
  K  K2  1  0.195  0.805  0.500  1.0
  Sm  Sm3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.815  0.815  0.764  1.0
  N  N5  1  0.185  0.185  0.236  1.0
  N  N6  1  0.073  0.339  0.769  1.0
  N  N7  1  0.339  0.073  0.769  1.0
  N  N8  1  0.927  0.661  0.231  1.0
  N  N9  1  0.661  0.927  0.231  1.0
[/CIF]
.
The compound described by K3SmN6 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. In the second K site, K(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted KN6 octahedra that share corners with two equivalent Sm(1)N6 octahedra, edges with two equivalent Sm(1)N6 octahedra, and edges with three equivalent K(2)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. Sm(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form SmN6 octahedra that share corners with four equivalent K(2)N6 octahedra and edges with four equivalent K(2)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent K(2), and one Sm(1) atom. In the second N site, N(2) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent K(2), and one Sm(1) atom. is represented by the CIF file [CIF]
data_K3SmN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.317
_cell_length_b   7.317
_cell_length_c   6.252
_cell_angle_alpha   78.700
_cell_angle_beta   78.700
_cell_angle_gamma   118.669
_symmetry_Int_Tables_number   1
_cell_volume   271.140
_cell_formula_units_Z   1
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  0.805  0.195  0.500  1.0
  K  K2  1  0.195  0.805  0.500  1.0
  Sm  Sm3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.815  0.815  0.764  1.0
  N  N5  1  0.185  0.185  0.236  1.0
  N  N6  1  0.073  0.339  0.769  1.0
  N  N7  1  0.339  0.073  0.769  1.0
  N  N8  1  0.927  0.661  0.231  1.0
  N  N9  1  0.661  0.927  0.231  1.0
[/CIF]
.