The compound described by C3N4 crystallizes in the cubic I-43d space group. C(1) is bonded to four equivalent N(1) atoms to form corner-sharing CN4 tetrahedra. N(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.720
_cell_length_b   4.720
_cell_length_c   4.720
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   80.949
_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  0.125  0.875  0.250  1.0
  C  C1  1  0.250  0.125  0.875  1.0
  C  C2  1  0.750  0.375  0.625  1.0
  C  C3  1  0.625  0.750  0.375  1.0
  C  C4  1  0.875  0.250  0.125  1.0
  C  C5  1  0.375  0.625  0.750  1.0
  N  N6  1  0.568  0.568  0.568  1.0
  N  N7  1  0.500  0.000  0.432  1.0
  N  N8  1  0.432  0.500  0.000  1.0
  N  N9  1  0.000  0.432  0.500  1.0
  N  N10  1  0.932  0.500  0.000  1.0
  N  N11  1  0.000  0.932  0.500  1.0
  N  N12  1  0.500  0.000  0.932  1.0
  N  N13  1  0.068  0.068  0.068  1.0
[/CIF]
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The compound described by C3N4 crystallizes in the cubic I-43d space group. C(1) is bonded to four equivalent N(1) atoms to form corner-sharing CN4 tetrahedra. N(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.720
_cell_length_b   4.720
_cell_length_c   4.720
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   80.949
_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  0.125  0.875  0.250  1.0
  C  C1  1  0.250  0.125  0.875  1.0
  C  C2  1  0.750  0.375  0.625  1.0
  C  C3  1  0.625  0.750  0.375  1.0
  C  C4  1  0.875  0.250  0.125  1.0
  C  C5  1  0.375  0.625  0.750  1.0
  N  N6  1  0.568  0.568  0.568  1.0
  N  N7  1  0.500  0.000  0.432  1.0
  N  N8  1  0.432  0.500  0.000  1.0
  N  N9  1  0.000  0.432  0.500  1.0
  N  N10  1  0.932  0.500  0.000  1.0
  N  N11  1  0.000  0.932  0.500  1.0
  N  N12  1  0.500  0.000  0.932  1.0
  N  N13  1  0.068  0.068  0.068  1.0
[/CIF]
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