The material described by Ni2(CN2)3 crystallizes in the trigonal R-3c space group. Ni(1) is bonded to six equivalent N(1) atoms to form edge-sharing NiN6 octahedra. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one C(1) atom. is represented by the CIF card [CIF]
data_Ni2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.702
_cell_length_b   5.356
_cell_length_c   27.586
_cell_angle_alpha   90.000
_cell_angle_beta   161.417
_cell_angle_gamma   73.978
_symmetry_Int_Tables_number   1
_cell_volume   228.324
_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
  Ni  Ni0  1  0.001  1.000  0.166  1.0
  Ni  Ni1  1  0.001  1.000  0.666  1.0
  Ni  Ni2  1  0.999  0.000  0.834  1.0
  Ni  Ni3  1  0.999  0.000  0.334  1.0
  C  C4  1  0.959  0.680  0.070  1.0
  C  C5  1  1.000  0.681  0.750  1.0
  C  C6  1  0.042  0.639  0.431  1.0
  C  C7  1  0.959  0.361  0.570  1.0
  C  C8  1  0.042  0.319  0.931  1.0
  C  C9  1  1.000  0.320  0.250  1.0
  N  N10  1  0.891  0.740  0.091  1.0
  N  N11  1  0.109  0.631  0.830  1.0
  N  N12  1  0.000  0.630  0.461  1.0
  N  N13  1  0.891  0.370  0.591  1.0
  N  N14  1  0.000  0.369  0.961  1.0
  N  N15  1  0.109  0.261  0.330  1.0
  N  N16  1  0.108  0.261  0.909  1.0
  N  N17  1  0.891  0.370  0.170  1.0
  N  N18  1  0.001  0.369  0.539  1.0
  N  N19  1  0.108  0.631  0.409  1.0
  N  N20  1  0.001  0.630  0.039  1.0
  N  N21  1  0.891  0.739  0.670  1.0
[/CIF]
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The material described by Ni2(CN2)3 crystallizes in the trigonal R-3c space group. Ni(1) is bonded to six equivalent N(1) atoms to form edge-sharing NiN6 octahedra. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one C(1) atom. is represented by the CIF card [CIF]
data_Ni2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.702
_cell_length_b   5.356
_cell_length_c   27.586
_cell_angle_alpha   90.000
_cell_angle_beta   161.417
_cell_angle_gamma   73.978
_symmetry_Int_Tables_number   1
_cell_volume   228.324
_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
  Ni  Ni0  1  0.001  1.000  0.166  1.0
  Ni  Ni1  1  0.001  1.000  0.666  1.0
  Ni  Ni2  1  0.999  0.000  0.834  1.0
  Ni  Ni3  1  0.999  0.000  0.334  1.0
  C  C4  1  0.959  0.680  0.070  1.0
  C  C5  1  1.000  0.681  0.750  1.0
  C  C6  1  0.042  0.639  0.431  1.0
  C  C7  1  0.959  0.361  0.570  1.0
  C  C8  1  0.042  0.319  0.931  1.0
  C  C9  1  1.000  0.320  0.250  1.0
  N  N10  1  0.891  0.740  0.091  1.0
  N  N11  1  0.109  0.631  0.830  1.0
  N  N12  1  0.000  0.630  0.461  1.0
  N  N13  1  0.891  0.370  0.591  1.0
  N  N14  1  0.000  0.369  0.961  1.0
  N  N15  1  0.109  0.261  0.330  1.0
  N  N16  1  0.108  0.261  0.909  1.0
  N  N17  1  0.891  0.370  0.170  1.0
  N  N18  1  0.001  0.369  0.539  1.0
  N  N19  1  0.108  0.631  0.409  1.0
  N  N20  1  0.001  0.630  0.039  1.0
  N  N21  1  0.891  0.739  0.670  1.0
[/CIF]
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