The material structure described by Ni(CN)2 crystallizes in the orthorhombic Pnma space group. Ni(1) is bonded to two equivalent C(1), two equivalent C(2), one N(1), and one N(2) atom to form edge-sharing NiC4N2 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one N(2) atom. In the second C site, C(2) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one N(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the second N site, N(2) is bonded in a linear geometry to one Ni(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Ni(CN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.765
_cell_length_b   2.985
_cell_length_c   6.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.975
_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
  Ni  Ni0  1  0.636  0.250  0.472  1.0
  Ni  Ni1  1  0.136  0.250  0.028  1.0
  Ni  Ni2  1  0.364  0.750  0.528  1.0
  Ni  Ni3  1  0.864  0.750  0.972  1.0
  C  C4  1  0.791  0.250  0.129  1.0
  C  C5  1  0.291  0.250  0.371  1.0
  C  C6  1  0.209  0.750  0.871  1.0
  C  C7  1  0.709  0.750  0.629  1.0
  C  C8  1  0.951  0.250  0.827  1.0
  C  C9  1  0.451  0.250  0.673  1.0
  C  C10  1  0.049  0.750  0.173  1.0
  C  C11  1  0.549  0.750  0.327  1.0
  N  N12  1  0.536  0.250  0.688  1.0
  N  N13  1  0.036  0.250  0.812  1.0
  N  N14  1  0.464  0.750  0.312  1.0
  N  N15  1  0.964  0.750  0.188  1.0
  N  N16  1  0.729  0.250  0.259  1.0
  N  N17  1  0.229  0.250  0.241  1.0
  N  N18  1  0.271  0.750  0.741  1.0
  N  N19  1  0.771  0.750  0.759  1.0
[/CIF]
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The material structure described by Ni(CN)2 crystallizes in the orthorhombic Pnma space group. Ni(1) is bonded to two equivalent C(1), two equivalent C(2), one N(1), and one N(2) atom to form edge-sharing NiC4N2 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one N(2) atom. In the second C site, C(2) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one N(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the second N site, N(2) is bonded in a linear geometry to one Ni(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Ni(CN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.765
_cell_length_b   2.985
_cell_length_c   6.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.975
_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
  Ni  Ni0  1  0.636  0.250  0.472  1.0
  Ni  Ni1  1  0.136  0.250  0.028  1.0
  Ni  Ni2  1  0.364  0.750  0.528  1.0
  Ni  Ni3  1  0.864  0.750  0.972  1.0
  C  C4  1  0.791  0.250  0.129  1.0
  C  C5  1  0.291  0.250  0.371  1.0
  C  C6  1  0.209  0.750  0.871  1.0
  C  C7  1  0.709  0.750  0.629  1.0
  C  C8  1  0.951  0.250  0.827  1.0
  C  C9  1  0.451  0.250  0.673  1.0
  C  C10  1  0.049  0.750  0.173  1.0
  C  C11  1  0.549  0.750  0.327  1.0
  N  N12  1  0.536  0.250  0.688  1.0
  N  N13  1  0.036  0.250  0.812  1.0
  N  N14  1  0.464  0.750  0.312  1.0
  N  N15  1  0.964  0.750  0.188  1.0
  N  N16  1  0.729  0.250  0.259  1.0
  N  N17  1  0.229  0.250  0.241  1.0
  N  N18  1  0.271  0.750  0.741  1.0
  N  N19  1  0.771  0.750  0.759  1.0
[/CIF]
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