The material 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 6-coordinate geometry to one C(1), one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second K site, K(2) is bonded in a 1-coordinate geometry to one N(2) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one C(3), two equivalent C(4), one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one C(1), two equivalent C(4), one N(1), one N(3), and one N(4) atom. 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(4), and one N(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one N(2) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one K(3) and one N(3) atom. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to two equivalent K(3), two equivalent K(4), and one N(4) 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(1), one K(3), one K(4), and one C(1) atom. In the second N site, N(2) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one C(2) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one K(1), one K(4), two equivalent K(3), and one C(3) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one K(1), one K(4), two equivalent K(3), and one C(4) atom. is represented by the CIF card [CIF]
data_KCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.545
_cell_length_b   5.734
_cell_length_c   6.829
_cell_angle_alpha   78.597
_cell_angle_beta   80.491
_cell_angle_gamma   73.285
_symmetry_Int_Tables_number   1
_cell_volume   202.490
_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
  K  K0  1  0.241  0.522  0.760  1.0
  K  K1  1  0.656  0.869  0.726  1.0
  K  K2  1  0.310  0.135  0.300  1.0
  K  K3  1  0.725  0.490  0.250  1.0
  C  C4  1  0.780  0.292  0.830  1.0
  C  C5  1  0.992  0.075  0.905  1.0
  C  C6  1  0.027  0.916  0.084  1.0
  C  C7  1  0.891  0.910  0.294  1.0
  N  N8  1  0.916  0.281  0.645  1.0
  N  N9  1  0.133  0.074  0.714  1.0
  N  N10  1  0.233  0.714  0.143  1.0
  N  N11  1  0.096  0.723  0.349  1.0
[/CIF]
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The material 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 6-coordinate geometry to one C(1), one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second K site, K(2) is bonded in a 1-coordinate geometry to one N(2) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one C(3), two equivalent C(4), one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one C(1), two equivalent C(4), one N(1), one N(3), and one N(4) atom. 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(4), and one N(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one N(2) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one K(3) and one N(3) atom. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to two equivalent K(3), two equivalent K(4), and one N(4) 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(1), one K(3), one K(4), and one C(1) atom. In the second N site, N(2) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one C(2) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one K(1), one K(4), two equivalent K(3), and one C(3) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one K(1), one K(4), two equivalent K(3), and one C(4) atom. is represented by the CIF card [CIF]
data_KCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.545
_cell_length_b   5.734
_cell_length_c   6.829
_cell_angle_alpha   78.597
_cell_angle_beta   80.491
_cell_angle_gamma   73.285
_symmetry_Int_Tables_number   1
_cell_volume   202.490
_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
  K  K0  1  0.241  0.522  0.760  1.0
  K  K1  1  0.656  0.869  0.726  1.0
  K  K2  1  0.310  0.135  0.300  1.0
  K  K3  1  0.725  0.490  0.250  1.0
  C  C4  1  0.780  0.292  0.830  1.0
  C  C5  1  0.992  0.075  0.905  1.0
  C  C6  1  0.027  0.916  0.084  1.0
  C  C7  1  0.891  0.910  0.294  1.0
  N  N8  1  0.916  0.281  0.645  1.0
  N  N9  1  0.133  0.074  0.714  1.0
  N  N10  1  0.233  0.714  0.143  1.0
  N  N11  1  0.096  0.723  0.349  1.0
[/CIF]
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