The material structure described by C2N2Se is Indium-like structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight selenium cyanide molecules. C(1) is bonded in a distorted single-bond geometry to one N(1) and one Se(1) atom. N(1) is bonded in a single-bond geometry to one C(1) atom. Se(1) is bonded in a distorted L-shaped geometry to two equivalent C(1) atoms. is represented by the CIF file [CIF]
data_C2SeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.751
_cell_length_b   5.751
_cell_length_c   14.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.704
_symmetry_Int_Tables_number   1
_cell_volume   463.299
_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
  C  C0  1  0.351  0.022  0.624  1.0
  C  C1  1  0.978  0.649  0.376  1.0
  C  C2  1  0.478  0.149  0.124  1.0
  C  C3  1  0.851  0.522  0.876  1.0
  C  C4  1  0.649  0.978  0.376  1.0
  C  C5  1  0.022  0.351  0.624  1.0
  C  C6  1  0.522  0.851  0.876  1.0
  C  C7  1  0.149  0.478  0.124  1.0
  Se  Se8  1  0.349  0.349  0.624  1.0
  Se  Se9  1  0.651  0.651  0.376  1.0
  Se  Se10  1  0.151  0.151  0.124  1.0
  Se  Se11  1  0.849  0.849  0.876  1.0
  N  N12  1  0.391  0.825  0.624  1.0
  N  N13  1  0.175  0.609  0.376  1.0
  N  N14  1  0.675  0.109  0.124  1.0
  N  N15  1  0.891  0.325  0.876  1.0
  N  N16  1  0.609  0.175  0.376  1.0
  N  N17  1  0.825  0.391  0.624  1.0
  N  N18  1  0.325  0.891  0.876  1.0
  N  N19  1  0.109  0.675  0.124  1.0
[/CIF]
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The material structure described by C2N2Se is Indium-like structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight selenium cyanide molecules. C(1) is bonded in a distorted single-bond geometry to one N(1) and one Se(1) atom. N(1) is bonded in a single-bond geometry to one C(1) atom. Se(1) is bonded in a distorted L-shaped geometry to two equivalent C(1) atoms. is represented by the CIF file [CIF]
data_C2SeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.751
_cell_length_b   5.751
_cell_length_c   14.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.704
_symmetry_Int_Tables_number   1
_cell_volume   463.299
_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
  C  C0  1  0.351  0.022  0.624  1.0
  C  C1  1  0.978  0.649  0.376  1.0
  C  C2  1  0.478  0.149  0.124  1.0
  C  C3  1  0.851  0.522  0.876  1.0
  C  C4  1  0.649  0.978  0.376  1.0
  C  C5  1  0.022  0.351  0.624  1.0
  C  C6  1  0.522  0.851  0.876  1.0
  C  C7  1  0.149  0.478  0.124  1.0
  Se  Se8  1  0.349  0.349  0.624  1.0
  Se  Se9  1  0.651  0.651  0.376  1.0
  Se  Se10  1  0.151  0.151  0.124  1.0
  Se  Se11  1  0.849  0.849  0.876  1.0
  N  N12  1  0.391  0.825  0.624  1.0
  N  N13  1  0.175  0.609  0.376  1.0
  N  N14  1  0.675  0.109  0.124  1.0
  N  N15  1  0.891  0.325  0.876  1.0
  N  N16  1  0.609  0.175  0.376  1.0
  N  N17  1  0.825  0.391  0.624  1.0
  N  N18  1  0.325  0.891  0.876  1.0
  N  N19  1  0.109  0.675  0.124  1.0
[/CIF]
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