The structure described by Na6ReN4 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. In the second Na site, Na(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 Na(1), four equivalent Na(2), and one Re(1) atom. is represented by the CIF card [CIF]
data_Na6ReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.661
_cell_length_b   7.661
_cell_length_c   5.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.131
_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
  Na  Na0  1  0.000  0.500  0.694  1.0
  Na  Na1  1  0.500  0.000  0.806  1.0
  Na  Na2  1  0.500  0.000  0.306  1.0
  Na  Na3  1  0.000  0.500  0.194  1.0
  Na  Na4  1  0.207  0.207  0.500  1.0
  Na  Na5  1  0.793  0.793  0.500  1.0
  Na  Na6  1  0.707  0.707  0.000  1.0
  Na  Na7  1  0.293  0.293  0.000  1.0
  Na  Na8  1  0.793  0.207  0.500  1.0
  Na  Na9  1  0.207  0.793  0.500  1.0
  Na  Na10  1  0.293  0.707  0.000  1.0
  Na  Na11  1  0.707  0.293  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  0.296  0.500  0.329  1.0
  N  N15  1  0.704  0.500  0.329  1.0
  N  N16  1  0.796  0.000  0.171  1.0
  N  N17  1  0.204  0.000  0.171  1.0
  N  N18  1  0.500  0.296  0.671  1.0
  N  N19  1  0.500  0.704  0.671  1.0
  N  N20  1  0.000  0.796  0.829  1.0
  N  N21  1  0.000  0.204  0.829  1.0
[/CIF]
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The structure described by Na6ReN4 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. In the second Na site, Na(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 Na(1), four equivalent Na(2), and one Re(1) atom. is represented by the CIF card [CIF]
data_Na6ReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.661
_cell_length_b   7.661
_cell_length_c   5.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.131
_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
  Na  Na0  1  0.000  0.500  0.694  1.0
  Na  Na1  1  0.500  0.000  0.806  1.0
  Na  Na2  1  0.500  0.000  0.306  1.0
  Na  Na3  1  0.000  0.500  0.194  1.0
  Na  Na4  1  0.207  0.207  0.500  1.0
  Na  Na5  1  0.793  0.793  0.500  1.0
  Na  Na6  1  0.707  0.707  0.000  1.0
  Na  Na7  1  0.293  0.293  0.000  1.0
  Na  Na8  1  0.793  0.207  0.500  1.0
  Na  Na9  1  0.207  0.793  0.500  1.0
  Na  Na10  1  0.293  0.707  0.000  1.0
  Na  Na11  1  0.707  0.293  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  0.296  0.500  0.329  1.0
  N  N15  1  0.704  0.500  0.329  1.0
  N  N16  1  0.796  0.000  0.171  1.0
  N  N17  1  0.204  0.000  0.171  1.0
  N  N18  1  0.500  0.296  0.671  1.0
  N  N19  1  0.500  0.704  0.671  1.0
  N  N20  1  0.000  0.796  0.829  1.0
  N  N21  1  0.000  0.204  0.829  1.0
[/CIF]
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