The material described by V2(CN2)3 crystallizes in the monoclinic C2/c space group. V(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form edge-sharing VN6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one C(2) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one C(1) atom. is represented by the CIF card [CIF]
data_V2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.023
_cell_length_b   5.523
_cell_length_c   28.584
_cell_angle_alpha   90.000
_cell_angle_beta   161.419
_cell_angle_gamma   74.006
_symmetry_Int_Tables_number   1
_cell_volume   253.250
_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
  V  V0  1  0.970  0.012  0.157  1.0
  V  V1  1  0.970  0.018  0.657  1.0
  V  V2  1  0.030  0.988  0.843  1.0
  V  V3  1  0.030  0.982  0.343  1.0
  C  C4  1  0.943  0.695  0.062  1.0
  C  C5  1  0.000  0.684  0.750  1.0
  C  C6  1  0.057  0.638  0.438  1.0
  C  C7  1  0.943  0.362  0.562  1.0
  C  C8  1  0.057  0.305  0.938  1.0
  C  C9  1  0.000  0.316  0.250  1.0
  N  N10  1  0.856  0.772  0.075  1.0
  N  N11  1  0.167  0.606  0.847  1.0
  N  N12  1  0.996  0.628  0.460  1.0
  N  N13  1  0.856  0.373  0.575  1.0
  N  N14  1  0.996  0.376  0.960  1.0
  N  N15  1  0.167  0.227  0.347  1.0
  N  N16  1  0.145  0.228  0.925  1.0
  N  N17  1  0.833  0.394  0.153  1.0
  N  N18  1  0.004  0.372  0.540  1.0
  N  N19  1  0.145  0.627  0.425  1.0
  N  N20  1  0.004  0.624  0.040  1.0
  N  N21  1  0.833  0.773  0.653  1.0
[/CIF]
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The material described by V2(CN2)3 crystallizes in the monoclinic C2/c space group. V(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form edge-sharing VN6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one C(2) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one C(1) atom. is represented by the CIF card [CIF]
data_V2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.023
_cell_length_b   5.523
_cell_length_c   28.584
_cell_angle_alpha   90.000
_cell_angle_beta   161.419
_cell_angle_gamma   74.006
_symmetry_Int_Tables_number   1
_cell_volume   253.250
_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
  V  V0  1  0.970  0.012  0.157  1.0
  V  V1  1  0.970  0.018  0.657  1.0
  V  V2  1  0.030  0.988  0.843  1.0
  V  V3  1  0.030  0.982  0.343  1.0
  C  C4  1  0.943  0.695  0.062  1.0
  C  C5  1  0.000  0.684  0.750  1.0
  C  C6  1  0.057  0.638  0.438  1.0
  C  C7  1  0.943  0.362  0.562  1.0
  C  C8  1  0.057  0.305  0.938  1.0
  C  C9  1  0.000  0.316  0.250  1.0
  N  N10  1  0.856  0.772  0.075  1.0
  N  N11  1  0.167  0.606  0.847  1.0
  N  N12  1  0.996  0.628  0.460  1.0
  N  N13  1  0.856  0.373  0.575  1.0
  N  N14  1  0.996  0.376  0.960  1.0
  N  N15  1  0.167  0.227  0.347  1.0
  N  N16  1  0.145  0.228  0.925  1.0
  N  N17  1  0.833  0.394  0.153  1.0
  N  N18  1  0.004  0.372  0.540  1.0
  N  N19  1  0.145  0.627  0.425  1.0
  N  N20  1  0.004  0.624  0.040  1.0
  N  N21  1  0.833  0.773  0.653  1.0
[/CIF]
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