The crystal structure described by KCN crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one C(1), one C(3), two equivalent C(2), one N(2), one N(3), and two equivalent N(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one C(1), one C(2), one C(3), two equivalent C(4), one N(1), one N(3), and two equivalent N(2) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one C(2), one C(4), two equivalent C(1), one N(1), one N(2), one N(4), and two equivalent N(3) atoms. In the fourth K site, K(4) is bonded in a 9-coordinate geometry to one C(1), one C(2), one C(4), two equivalent C(3), one N(2), one N(4), and two equivalent N(1) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(4), two equivalent K(3), and one N(2) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one K(2), one K(3), one K(4), two equivalent K(1), and one N(1) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), two equivalent K(4), and one N(4) atom. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one K(3), one K(4), two equivalent K(2), and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one K(2), one K(3), two equivalent K(4), and one C(2) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one K(1), one K(3), one K(4), two equivalent K(2), and one C(1) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one K(1), one K(2), two equivalent K(3), and one C(4) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one K(3), one K(4), two equivalent K(1), and one C(3) atom. is represented by the CIF card [CIF]
data_KCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.399
_cell_length_b   4.602
_cell_length_c   8.360
_cell_angle_alpha   74.515
_cell_angle_beta   89.996
_cell_angle_gamma   62.481
_symmetry_Int_Tables_number   1
_cell_volume   143.131
_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
  C  C0  1  0.047  0.930  0.450  1.0
  C  C1  1  0.418  0.126  0.948  1.0
  K  K2  1  0.290  0.439  0.249  1.0
  K  K3  1  0.707  0.568  0.746  1.0
  N  N4  1  0.951  0.073  0.553  1.0
  N  N5  1  0.588  0.865  0.055  1.0
[/CIF]
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The crystal structure described by KCN crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one C(1), one C(3), two equivalent C(2), one N(2), one N(3), and two equivalent N(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one C(1), one C(2), one C(3), two equivalent C(4), one N(1), one N(3), and two equivalent N(2) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one C(2), one C(4), two equivalent C(1), one N(1), one N(2), one N(4), and two equivalent N(3) atoms. In the fourth K site, K(4) is bonded in a 9-coordinate geometry to one C(1), one C(2), one C(4), two equivalent C(3), one N(2), one N(4), and two equivalent N(1) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(4), two equivalent K(3), and one N(2) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one K(2), one K(3), one K(4), two equivalent K(1), and one N(1) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), two equivalent K(4), and one N(4) atom. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one K(3), one K(4), two equivalent K(2), and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one K(2), one K(3), two equivalent K(4), and one C(2) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one K(1), one K(3), one K(4), two equivalent K(2), and one C(1) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one K(1), one K(2), two equivalent K(3), and one C(4) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one K(3), one K(4), two equivalent K(1), and one C(3) atom. is represented by the CIF card [CIF]
data_KCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.399
_cell_length_b   4.602
_cell_length_c   8.360
_cell_angle_alpha   74.515
_cell_angle_beta   89.996
_cell_angle_gamma   62.481
_symmetry_Int_Tables_number   1
_cell_volume   143.131
_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
  C  C0  1  0.047  0.930  0.450  1.0
  C  C1  1  0.418  0.126  0.948  1.0
  K  K2  1  0.290  0.439  0.249  1.0
  K  K3  1  0.707  0.568  0.746  1.0
  N  N4  1  0.951  0.073  0.553  1.0
  N  N5  1  0.588  0.865  0.055  1.0
[/CIF]
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