The material described by CNH crystallizes in the cubic P2_13 space group. C(1) is bonded to three equivalent N(1) and one H(1) atom to form corner-sharing CHN3 tetrahedra. N(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. H(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.027
_cell_length_b   4.027
_cell_length_c   4.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   65.316
_cell_formula_units_Z   4
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
  H  H0  1  0.082  0.582  0.918  1.0
  H  H1  1  0.582  0.918  0.082  1.0
  H  H2  1  0.918  0.082  0.582  1.0
  H  H3  1  0.418  0.418  0.418  1.0
  C  C4  1  0.925  0.425  0.075  1.0
  C  C5  1  0.425  0.075  0.925  1.0
  C  C6  1  0.075  0.925  0.425  1.0
  C  C7  1  0.575  0.575  0.575  1.0
  N  N8  1  0.388  0.888  0.612  1.0
  N  N9  1  0.888  0.612  0.388  1.0
  N  N10  1  0.612  0.388  0.888  1.0
  N  N11  1  0.112  0.112  0.112  1.0
[/CIF]
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The material described by CNH crystallizes in the cubic P2_13 space group. C(1) is bonded to three equivalent N(1) and one H(1) atom to form corner-sharing CHN3 tetrahedra. N(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. H(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.027
_cell_length_b   4.027
_cell_length_c   4.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   65.316
_cell_formula_units_Z   4
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
  H  H0  1  0.082  0.582  0.918  1.0
  H  H1  1  0.582  0.918  0.082  1.0
  H  H2  1  0.918  0.082  0.582  1.0
  H  H3  1  0.418  0.418  0.418  1.0
  C  C4  1  0.925  0.425  0.075  1.0
  C  C5  1  0.425  0.075  0.925  1.0
  C  C6  1  0.075  0.925  0.425  1.0
  C  C7  1  0.575  0.575  0.575  1.0
  N  N8  1  0.388  0.888  0.612  1.0
  N  N9  1  0.888  0.612  0.388  1.0
  N  N10  1  0.612  0.388  0.888  1.0
  N  N11  1  0.112  0.112  0.112  1.0
[/CIF]
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