The material described by K6ReN4 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 bent 150 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. Re(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 Re(1) atom. is represented by the CIF file [CIF]
data_K6ReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.492
_cell_length_b   8.492
_cell_length_c   6.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.475
_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  0.740  1.0
  K  K1  1  0.500  0.000  0.760  1.0
  K  K2  1  0.500  0.000  0.260  1.0
  K  K3  1  0.000  0.500  0.240  1.0
  K  K4  1  0.210  0.210  0.500  1.0
  K  K5  1  0.790  0.790  0.500  1.0
  K  K6  1  0.710  0.710  0.000  1.0
  K  K7  1  0.290  0.290  0.000  1.0
  K  K8  1  0.790  0.210  0.500  1.0
  K  K9  1  0.210  0.790  0.500  1.0
  K  K10  1  0.290  0.710  0.000  1.0
  K  K11  1  0.710  0.290  0.000  1.0
  Re  Re12  1  0.500  0.500  0.500  1.0
  Re  Re13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.318  0.500  0.350  1.0
  N  N15  1  0.682  0.500  0.350  1.0
  N  N16  1  0.818  0.000  0.150  1.0
  N  N17  1  0.182  0.000  0.150  1.0
  N  N18  1  0.500  0.318  0.650  1.0
  N  N19  1  0.500  0.682  0.650  1.0
  N  N20  1  0.000  0.818  0.850  1.0
  N  N21  1  0.000  0.182  0.850  1.0
[/CIF]
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The material described by K6ReN4 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 bent 150 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. Re(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 Re(1) atom. is represented by the CIF file [CIF]
data_K6ReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.492
_cell_length_b   8.492
_cell_length_c   6.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.475
_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  0.740  1.0
  K  K1  1  0.500  0.000  0.760  1.0
  K  K2  1  0.500  0.000  0.260  1.0
  K  K3  1  0.000  0.500  0.240  1.0
  K  K4  1  0.210  0.210  0.500  1.0
  K  K5  1  0.790  0.790  0.500  1.0
  K  K6  1  0.710  0.710  0.000  1.0
  K  K7  1  0.290  0.290  0.000  1.0
  K  K8  1  0.790  0.210  0.500  1.0
  K  K9  1  0.210  0.790  0.500  1.0
  K  K10  1  0.290  0.710  0.000  1.0
  K  K11  1  0.710  0.290  0.000  1.0
  Re  Re12  1  0.500  0.500  0.500  1.0
  Re  Re13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.318  0.500  0.350  1.0
  N  N15  1  0.682  0.500  0.350  1.0
  N  N16  1  0.818  0.000  0.150  1.0
  N  N17  1  0.182  0.000  0.150  1.0
  N  N18  1  0.500  0.318  0.650  1.0
  N  N19  1  0.500  0.682  0.650  1.0
  N  N20  1  0.000  0.818  0.850  1.0
  N  N21  1  0.000  0.182  0.850  1.0
[/CIF]
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