The material structure described by K6WN4 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. W(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one W(1) atom. is represented by the CIF card [CIF]
data_K6WN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.235
_cell_length_b   8.235
_cell_length_c   6.768
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.996
_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  0.500  0.679  1.0
  K  K1  1  0.500  0.000  0.821  1.0
  K  K2  1  0.500  0.000  0.321  1.0
  K  K3  1  0.000  0.500  0.179  1.0
  K  K4  1  0.203  0.203  0.500  1.0
  K  K5  1  0.797  0.797  0.500  1.0
  K  K6  1  0.703  0.703  0.000  1.0
  K  K7  1  0.297  0.297  0.000  1.0
  K  K8  1  0.797  0.203  0.500  1.0
  K  K9  1  0.203  0.797  0.500  1.0
  K  K10  1  0.297  0.703  0.000  1.0
  K  K11  1  0.703  0.297  0.000  1.0
  W  W12  1  0.500  0.500  0.500  1.0
  W  W13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.303  0.500  0.346  1.0
  N  N15  1  0.697  0.500  0.346  1.0
  N  N16  1  0.803  0.000  0.154  1.0
  N  N17  1  0.197  0.000  0.154  1.0
  N  N18  1  0.500  0.303  0.654  1.0
  N  N19  1  0.500  0.697  0.654  1.0
  N  N20  1  0.000  0.803  0.846  1.0
  N  N21  1  0.000  0.197  0.846  1.0
[/CIF]
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The material structure described by K6WN4 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. W(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one W(1) atom. is represented by the CIF card [CIF]
data_K6WN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.235
_cell_length_b   8.235
_cell_length_c   6.768
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.996
_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  0.500  0.679  1.0
  K  K1  1  0.500  0.000  0.821  1.0
  K  K2  1  0.500  0.000  0.321  1.0
  K  K3  1  0.000  0.500  0.179  1.0
  K  K4  1  0.203  0.203  0.500  1.0
  K  K5  1  0.797  0.797  0.500  1.0
  K  K6  1  0.703  0.703  0.000  1.0
  K  K7  1  0.297  0.297  0.000  1.0
  K  K8  1  0.797  0.203  0.500  1.0
  K  K9  1  0.203  0.797  0.500  1.0
  K  K10  1  0.297  0.703  0.000  1.0
  K  K11  1  0.703  0.297  0.000  1.0
  W  W12  1  0.500  0.500  0.500  1.0
  W  W13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.303  0.500  0.346  1.0
  N  N15  1  0.697  0.500  0.346  1.0
  N  N16  1  0.803  0.000  0.154  1.0
  N  N17  1  0.197  0.000  0.154  1.0
  N  N18  1  0.500  0.303  0.654  1.0
  N  N19  1  0.500  0.697  0.654  1.0
  N  N20  1  0.000  0.803  0.846  1.0
  N  N21  1  0.000  0.197  0.846  1.0
[/CIF]
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