The compound described by K3YN6 crystallizes in the trigonal R32 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 in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. Y(1) is bonded in an octahedral geometry to three equivalent N(1) and three equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Y(1) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Y(1) atom. is represented by the CIF card [CIF]
data_K3YN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.869
_cell_length_b   7.869
_cell_length_c   7.869
_cell_angle_alpha   91.707
_cell_angle_beta   91.707
_cell_angle_gamma   91.707
_symmetry_Int_Tables_number   1
_cell_volume   486.519
_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  0.000  0.655  0.345  1.0
  K  K1  1  0.655  0.345  0.000  1.0
  K  K2  1  0.345  0.000  0.655  1.0
  K  K3  1  0.500  0.847  0.153  1.0
  K  K4  1  0.847  0.153  0.500  1.0
  K  K5  1  0.153  0.500  0.847  1.0
  Y  Y6  1  0.748  0.748  0.748  1.0
  Y  Y7  1  0.252  0.252  0.252  1.0
  N  N8  1  0.473  0.684  0.810  1.0
  N  N9  1  0.684  0.810  0.473  1.0
  N  N10  1  0.810  0.473  0.684  1.0
  N  N11  1  0.527  0.190  0.316  1.0
  N  N12  1  0.316  0.527  0.190  1.0
  N  N13  1  0.190  0.316  0.527  1.0
  N  N14  1  0.816  0.690  0.025  1.0
  N  N15  1  0.690  0.025  0.816  1.0
  N  N16  1  0.025  0.816  0.690  1.0
  N  N17  1  0.184  0.975  0.310  1.0
  N  N18  1  0.310  0.184  0.975  1.0
  N  N19  1  0.975  0.310  0.184  1.0
[/CIF]
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The compound described by K3YN6 crystallizes in the trigonal R32 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 in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. Y(1) is bonded in an octahedral geometry to three equivalent N(1) and three equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Y(1) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Y(1) atom. is represented by the CIF card [CIF]
data_K3YN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.869
_cell_length_b   7.869
_cell_length_c   7.869
_cell_angle_alpha   91.707
_cell_angle_beta   91.707
_cell_angle_gamma   91.707
_symmetry_Int_Tables_number   1
_cell_volume   486.519
_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  0.000  0.655  0.345  1.0
  K  K1  1  0.655  0.345  0.000  1.0
  K  K2  1  0.345  0.000  0.655  1.0
  K  K3  1  0.500  0.847  0.153  1.0
  K  K4  1  0.847  0.153  0.500  1.0
  K  K5  1  0.153  0.500  0.847  1.0
  Y  Y6  1  0.748  0.748  0.748  1.0
  Y  Y7  1  0.252  0.252  0.252  1.0
  N  N8  1  0.473  0.684  0.810  1.0
  N  N9  1  0.684  0.810  0.473  1.0
  N  N10  1  0.810  0.473  0.684  1.0
  N  N11  1  0.527  0.190  0.316  1.0
  N  N12  1  0.316  0.527  0.190  1.0
  N  N13  1  0.190  0.316  0.527  1.0
  N  N14  1  0.816  0.690  0.025  1.0
  N  N15  1  0.690  0.025  0.816  1.0
  N  N16  1  0.025  0.816  0.690  1.0
  N  N17  1  0.184  0.975  0.310  1.0
  N  N18  1  0.310  0.184  0.975  1.0
  N  N19  1  0.975  0.310  0.184  1.0
[/CIF]
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