The crystal structure described by NaC4N3 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one N(1), two equivalent N(2), and three equivalent N(3) atoms to form edge-sharing NaN6 octahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(2) and one N(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. In the third C site, C(3) is bonded in a distorted linear geometry to one C(2) and one N(2) atom. In the fourth C site, C(4) is bonded in a linear geometry to one C(2) and one N(1) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Na(1) and one C(4) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one C(3) atom. In the third N site, N(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one C(1) atom. is represented by the CIF card [CIF]
data_NaC4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.817
_cell_length_b   7.806
_cell_length_c   9.303
_cell_angle_alpha   105.387
_cell_angle_beta   88.787
_cell_angle_gamma   99.147
_symmetry_Int_Tables_number   1
_cell_volume   263.765
_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  0.180  0.844  0.841  1.0
  Na  Na1  1  0.820  0.156  0.159  1.0
  C  C2  1  0.251  0.817  0.202  1.0
  C  C3  1  0.285  0.704  0.292  1.0
  C  C4  1  0.356  0.529  0.228  1.0
  C  C5  1  0.715  0.296  0.708  1.0
  C  C6  1  0.644  0.471  0.772  1.0
  C  C7  1  0.749  0.183  0.798  1.0
  C  C8  1  0.236  0.761  0.447  1.0
  C  C9  1  0.764  0.239  0.553  1.0
  N  N10  1  0.195  0.805  0.576  1.0
  N  N11  1  0.805  0.195  0.424  1.0
  N  N12  1  0.412  0.382  0.177  1.0
  N  N13  1  0.224  0.913  0.125  1.0
  N  N14  1  0.776  0.087  0.875  1.0
  N  N15  1  0.588  0.618  0.823  1.0
[/CIF]
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The crystal structure described by NaC4N3 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one N(1), two equivalent N(2), and three equivalent N(3) atoms to form edge-sharing NaN6 octahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(2) and one N(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. In the third C site, C(3) is bonded in a distorted linear geometry to one C(2) and one N(2) atom. In the fourth C site, C(4) is bonded in a linear geometry to one C(2) and one N(1) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Na(1) and one C(4) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one C(3) atom. In the third N site, N(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one C(1) atom. is represented by the CIF card [CIF]
data_NaC4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.817
_cell_length_b   7.806
_cell_length_c   9.303
_cell_angle_alpha   105.387
_cell_angle_beta   88.787
_cell_angle_gamma   99.147
_symmetry_Int_Tables_number   1
_cell_volume   263.765
_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  0.180  0.844  0.841  1.0
  Na  Na1  1  0.820  0.156  0.159  1.0
  C  C2  1  0.251  0.817  0.202  1.0
  C  C3  1  0.285  0.704  0.292  1.0
  C  C4  1  0.356  0.529  0.228  1.0
  C  C5  1  0.715  0.296  0.708  1.0
  C  C6  1  0.644  0.471  0.772  1.0
  C  C7  1  0.749  0.183  0.798  1.0
  C  C8  1  0.236  0.761  0.447  1.0
  C  C9  1  0.764  0.239  0.553  1.0
  N  N10  1  0.195  0.805  0.576  1.0
  N  N11  1  0.805  0.195  0.424  1.0
  N  N12  1  0.412  0.382  0.177  1.0
  N  N13  1  0.224  0.913  0.125  1.0
  N  N14  1  0.776  0.087  0.875  1.0
  N  N15  1  0.588  0.618  0.823  1.0
[/CIF]
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