The compound described by NaCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Na(1) is bonded to four equivalent N(1) atoms to form distorted NaN4 trigonal pyramids that share corners with eight equivalent Cr(1)N4 tetrahedra and corners with four equivalent Na(1)N4 trigonal pyramids. Cr(1) is bonded to four equivalent N(1) atoms to form CrN4 tetrahedra that share corners with four equivalent Cr(1)N4 tetrahedra and corners with eight equivalent Na(1)N4 trigonal pyramids. N(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_NaCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   5.081
_cell_length_c   8.131
_cell_angle_alpha   89.996
_cell_angle_beta   138.529
_cell_angle_gamma   117.931
_symmetry_Int_Tables_number   1
_cell_volume   104.952
_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  1.000  0.500  0.750  1.0
  Na  Na1  1  1.000  0.000  0.500  1.0
  Cr  Cr2  1  1.000  0.500  0.250  1.0
  Cr  Cr3  1  1.000  1.000  1.000  1.0
  N  N4  1  0.501  0.112  0.125  1.0
  N  N5  1  0.500  0.888  0.625  1.0
  N  N6  1  0.276  0.388  0.263  1.0
  N  N7  1  0.724  0.612  0.987  1.0
[/CIF]
.
The compound described by NaCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Na(1) is bonded to four equivalent N(1) atoms to form distorted NaN4 trigonal pyramids that share corners with eight equivalent Cr(1)N4 tetrahedra and corners with four equivalent Na(1)N4 trigonal pyramids. Cr(1) is bonded to four equivalent N(1) atoms to form CrN4 tetrahedra that share corners with four equivalent Cr(1)N4 tetrahedra and corners with eight equivalent Na(1)N4 trigonal pyramids. N(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_NaCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   5.081
_cell_length_c   8.131
_cell_angle_alpha   89.996
_cell_angle_beta   138.529
_cell_angle_gamma   117.931
_symmetry_Int_Tables_number   1
_cell_volume   104.952
_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  1.000  0.500  0.750  1.0
  Na  Na1  1  1.000  0.000  0.500  1.0
  Cr  Cr2  1  1.000  0.500  0.250  1.0
  Cr  Cr3  1  1.000  1.000  1.000  1.0
  N  N4  1  0.501  0.112  0.125  1.0
  N  N5  1  0.500  0.888  0.625  1.0
  N  N6  1  0.276  0.388  0.263  1.0
  N  N7  1  0.724  0.612  0.987  1.0
[/CIF]
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