The compound described by Na6CrN4 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 2-coordinate geometry to four equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Cr(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), four equivalent Na(2), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Na6CrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.338
_cell_length_c   5.790
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.752
_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  0.656  1.0
  Na  Na1  1  0.500  0.000  0.844  1.0
  Na  Na2  1  0.500  0.000  0.344  1.0
  Na  Na3  1  0.000  0.500  0.156  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
  Cr  Cr12  1  0.500  0.500  0.500  1.0
  Cr  Cr13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.294  0.500  0.332  1.0
  N  N15  1  0.706  0.500  0.332  1.0
  N  N16  1  0.794  0.000  0.168  1.0
  N  N17  1  0.206  0.000  0.168  1.0
  N  N18  1  0.500  0.294  0.668  1.0
  N  N19  1  0.500  0.706  0.668  1.0
  N  N20  1  0.000  0.794  0.832  1.0
  N  N21  1  0.000  0.206  0.832  1.0
[/CIF]
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The compound described by Na6CrN4 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 2-coordinate geometry to four equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Cr(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), four equivalent Na(2), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Na6CrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.338
_cell_length_c   5.790
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.752
_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  0.656  1.0
  Na  Na1  1  0.500  0.000  0.844  1.0
  Na  Na2  1  0.500  0.000  0.344  1.0
  Na  Na3  1  0.000  0.500  0.156  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
  Cr  Cr12  1  0.500  0.500  0.500  1.0
  Cr  Cr13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.294  0.500  0.332  1.0
  N  N15  1  0.706  0.500  0.332  1.0
  N  N16  1  0.794  0.000  0.168  1.0
  N  N17  1  0.206  0.000  0.168  1.0
  N  N18  1  0.500  0.294  0.668  1.0
  N  N19  1  0.500  0.706  0.668  1.0
  N  N20  1  0.000  0.794  0.832  1.0
  N  N21  1  0.000  0.206  0.832  1.0
[/CIF]
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