The material structure described by KHgC3(NO)3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one N(2), two equivalent N(1), one O(2), two equivalent O(1), and two equivalent O(3) atoms. Hg(1) is bonded in a see-saw-like geometry to one N(1), one N(3), and two equivalent N(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(2) and one O(3) atom. In the second C site, C(2) is bonded in a linear geometry to one N(3) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one N(1) and one O(1) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Hg(1), and one C(3) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent Hg(1), and one C(1) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one C(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. is represented by the CIF card [CIF]
data_KHgC3(NO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.103
_cell_length_b   10.572
_cell_length_c   17.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   777.820
_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  0.750  0.916  0.662  1.0
  K  K1  1  0.250  0.084  0.338  1.0
  K  K2  1  0.750  0.416  0.838  1.0
  K  K3  1  0.250  0.584  0.162  1.0
  Hg  Hg4  1  0.750  0.343  0.463  1.0
  Hg  Hg5  1  0.250  0.657  0.537  1.0
  Hg  Hg6  1  0.750  0.843  0.037  1.0
  Hg  Hg7  1  0.250  0.157  0.963  1.0
  C  C8  1  0.250  0.123  0.533  1.0
  C  C9  1  0.750  0.377  0.033  1.0
  C  C10  1  0.250  0.623  0.967  1.0
  C  C11  1  0.750  0.877  0.467  1.0
  C  C12  1  0.250  0.624  0.373  1.0
  C  C13  1  0.750  0.376  0.627  1.0
  C  C14  1  0.250  0.124  0.127  1.0
  C  C15  1  0.750  0.876  0.873  1.0
  C  C16  1  0.250  0.126  0.799  1.0
  C  C17  1  0.750  0.874  0.201  1.0
  C  C18  1  0.250  0.626  0.701  1.0
  C  C19  1  0.750  0.374  0.299  1.0
  N  N20  1  0.250  0.206  0.848  1.0
  N  N21  1  0.750  0.794  0.152  1.0
  N  N22  1  0.250  0.706  0.652  1.0
  N  N23  1  0.750  0.294  0.348  1.0
  N  N24  1  0.750  0.794  0.513  1.0
  N  N25  1  0.250  0.206  0.487  1.0
  N  N26  1  0.750  0.933  0.931  1.0
  N  N27  1  0.250  0.067  0.069  1.0
  N  N28  1  0.750  0.294  0.987  1.0
  N  N29  1  0.250  0.706  0.013  1.0
  N  N30  1  0.750  0.433  0.569  1.0
  N  N31  1  0.250  0.567  0.431  1.0
  O  O32  1  0.250  0.053  0.748  1.0
  O  O33  1  0.750  0.947  0.252  1.0
  O  O34  1  0.750  0.447  0.248  1.0
  O  O35  1  0.750  0.826  0.812  1.0
  O  O36  1  0.750  0.462  0.079  1.0
  O  O37  1  0.250  0.538  0.921  1.0
  O  O38  1  0.750  0.962  0.421  1.0
  O  O39  1  0.250  0.038  0.579  1.0
  O  O40  1  0.250  0.174  0.188  1.0
  O  O41  1  0.750  0.326  0.688  1.0
  O  O42  1  0.250  0.674  0.312  1.0
  O  O43  1  0.250  0.553  0.752  1.0
[/CIF]
.
The material structure described by KHgC3(NO)3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one N(2), two equivalent N(1), one O(2), two equivalent O(1), and two equivalent O(3) atoms. Hg(1) is bonded in a see-saw-like geometry to one N(1), one N(3), and two equivalent N(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(2) and one O(3) atom. In the second C site, C(2) is bonded in a linear geometry to one N(3) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one N(1) and one O(1) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Hg(1), and one C(3) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent Hg(1), and one C(1) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one C(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. is represented by the CIF card [CIF]
data_KHgC3(NO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.103
_cell_length_b   10.572
_cell_length_c   17.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   777.820
_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  0.750  0.916  0.662  1.0
  K  K1  1  0.250  0.084  0.338  1.0
  K  K2  1  0.750  0.416  0.838  1.0
  K  K3  1  0.250  0.584  0.162  1.0
  Hg  Hg4  1  0.750  0.343  0.463  1.0
  Hg  Hg5  1  0.250  0.657  0.537  1.0
  Hg  Hg6  1  0.750  0.843  0.037  1.0
  Hg  Hg7  1  0.250  0.157  0.963  1.0
  C  C8  1  0.250  0.123  0.533  1.0
  C  C9  1  0.750  0.377  0.033  1.0
  C  C10  1  0.250  0.623  0.967  1.0
  C  C11  1  0.750  0.877  0.467  1.0
  C  C12  1  0.250  0.624  0.373  1.0
  C  C13  1  0.750  0.376  0.627  1.0
  C  C14  1  0.250  0.124  0.127  1.0
  C  C15  1  0.750  0.876  0.873  1.0
  C  C16  1  0.250  0.126  0.799  1.0
  C  C17  1  0.750  0.874  0.201  1.0
  C  C18  1  0.250  0.626  0.701  1.0
  C  C19  1  0.750  0.374  0.299  1.0
  N  N20  1  0.250  0.206  0.848  1.0
  N  N21  1  0.750  0.794  0.152  1.0
  N  N22  1  0.250  0.706  0.652  1.0
  N  N23  1  0.750  0.294  0.348  1.0
  N  N24  1  0.750  0.794  0.513  1.0
  N  N25  1  0.250  0.206  0.487  1.0
  N  N26  1  0.750  0.933  0.931  1.0
  N  N27  1  0.250  0.067  0.069  1.0
  N  N28  1  0.750  0.294  0.987  1.0
  N  N29  1  0.250  0.706  0.013  1.0
  N  N30  1  0.750  0.433  0.569  1.0
  N  N31  1  0.250  0.567  0.431  1.0
  O  O32  1  0.250  0.053  0.748  1.0
  O  O33  1  0.750  0.947  0.252  1.0
  O  O34  1  0.750  0.447  0.248  1.0
  O  O35  1  0.750  0.826  0.812  1.0
  O  O36  1  0.750  0.462  0.079  1.0
  O  O37  1  0.250  0.538  0.921  1.0
  O  O38  1  0.750  0.962  0.421  1.0
  O  O39  1  0.250  0.038  0.579  1.0
  O  O40  1  0.250  0.174  0.188  1.0
  O  O41  1  0.750  0.326  0.688  1.0
  O  O42  1  0.250  0.674  0.312  1.0
  O  O43  1  0.250  0.553  0.752  1.0
[/CIF]
.