The crystal structure described by C3N4 is Indium-like structured and crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two cyanide nitrogen molecules. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. In the second N site, N(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.481
_cell_length_b   6.481
_cell_length_c   22.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   802.335
_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
  C  C0  1  0.556  0.694  0.250  1.0
  C  C1  1  0.138  0.444  0.250  1.0
  C  C2  1  0.306  0.862  0.250  1.0
  C  C3  1  0.444  0.306  0.750  1.0
  C  C4  1  0.862  0.556  0.750  1.0
  C  C5  1  0.694  0.138  0.750  1.0
  N  N6  1  0.743  0.709  0.250  1.0
  N  N7  1  0.966  0.257  0.250  1.0
  N  N8  1  0.291  0.034  0.250  1.0
  N  N9  1  0.257  0.291  0.750  1.0
  N  N10  1  0.034  0.743  0.750  1.0
  N  N11  1  0.709  0.966  0.750  1.0
  N  N12  1  0.333  0.667  0.250  1.0
  N  N13  1  0.667  0.333  0.750  1.0
[/CIF]
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The crystal structure described by C3N4 is Indium-like structured and crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two cyanide nitrogen molecules. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. In the second N site, N(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.481
_cell_length_b   6.481
_cell_length_c   22.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   802.335
_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
  C  C0  1  0.556  0.694  0.250  1.0
  C  C1  1  0.138  0.444  0.250  1.0
  C  C2  1  0.306  0.862  0.250  1.0
  C  C3  1  0.444  0.306  0.750  1.0
  C  C4  1  0.862  0.556  0.750  1.0
  C  C5  1  0.694  0.138  0.750  1.0
  N  N6  1  0.743  0.709  0.250  1.0
  N  N7  1  0.966  0.257  0.250  1.0
  N  N8  1  0.291  0.034  0.250  1.0
  N  N9  1  0.257  0.291  0.750  1.0
  N  N10  1  0.034  0.743  0.750  1.0
  N  N11  1  0.709  0.966  0.750  1.0
  N  N12  1  0.333  0.667  0.250  1.0
  N  N13  1  0.667  0.333  0.750  1.0
[/CIF]
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