The material described by K2Hg3C8(NO)8 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to one N(2), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one O(4) atom. In the second C site, C(2) is bonded in a linear geometry to one N(4) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one N(2) and one O(3) atom. In the fourth C site, C(4) is bonded in a linear geometry to one N(3) and one O(1) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Hg(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one Hg(1), and one C(3) atom. In the third N site, N(3) is bonded in a distorted bent 150 degrees geometry to one Hg(2) and one C(4) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one C(2) atom. There are four 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(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent 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(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1) and one C(1) atom. is represented by the CIF card [CIF]
data_K2Hg3C8(NO)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.111
_cell_length_b   10.692
_cell_length_c   11.206
_cell_angle_alpha   92.186
_cell_angle_beta   94.865
_cell_angle_gamma   94.090
_symmetry_Int_Tables_number   1
_cell_volume   489.003
_cell_formula_units_Z   1
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  0.785  0.511  0.210  1.0
  K  K1  1  0.215  0.489  0.790  1.0
  Hg  Hg2  1  0.729  0.116  0.390  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  Hg  Hg4  1  0.271  0.884  0.610  1.0
  C  C5  1  0.219  0.151  0.678  1.0
  C  C6  1  0.215  0.232  0.203  1.0
  C  C7  1  0.301  0.640  0.479  1.0
  C  C8  1  0.781  0.849  0.322  1.0
  C  C9  1  0.785  0.768  0.797  1.0
  C  C10  1  0.714  0.248  0.951  1.0
  C  C11  1  0.286  0.752  0.049  1.0
  C  C12  1  0.699  0.360  0.521  1.0
  N  N13  1  0.298  0.079  0.601  1.0
  N  N14  1  0.702  0.921  0.399  1.0
  N  N15  1  0.767  0.311  0.428  1.0
  N  N16  1  0.317  0.862  0.030  1.0
  N  N17  1  0.233  0.689  0.572  1.0
  N  N18  1  0.810  0.873  0.761  1.0
  N  N19  1  0.190  0.127  0.239  1.0
  N  N20  1  0.683  0.138  0.970  1.0
  O  O21  1  0.285  0.642  0.069  1.0
  O  O22  1  0.240  0.337  0.166  1.0
  O  O23  1  0.358  0.583  0.390  1.0
  O  O24  1  0.145  0.229  0.749  1.0
  O  O25  1  0.855  0.771  0.251  1.0
  O  O26  1  0.715  0.358  0.931  1.0
  O  O27  1  0.642  0.417  0.610  1.0
  O  O28  1  0.760  0.663  0.834  1.0
[/CIF]
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The material described by K2Hg3C8(NO)8 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to one N(2), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one O(4) atom. In the second C site, C(2) is bonded in a linear geometry to one N(4) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one N(2) and one O(3) atom. In the fourth C site, C(4) is bonded in a linear geometry to one N(3) and one O(1) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Hg(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one Hg(1), and one C(3) atom. In the third N site, N(3) is bonded in a distorted bent 150 degrees geometry to one Hg(2) and one C(4) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one C(2) atom. There are four 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(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent 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(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1) and one C(1) atom. is represented by the CIF card [CIF]
data_K2Hg3C8(NO)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.111
_cell_length_b   10.692
_cell_length_c   11.206
_cell_angle_alpha   92.186
_cell_angle_beta   94.865
_cell_angle_gamma   94.090
_symmetry_Int_Tables_number   1
_cell_volume   489.003
_cell_formula_units_Z   1
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  0.785  0.511  0.210  1.0
  K  K1  1  0.215  0.489  0.790  1.0
  Hg  Hg2  1  0.729  0.116  0.390  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  Hg  Hg4  1  0.271  0.884  0.610  1.0
  C  C5  1  0.219  0.151  0.678  1.0
  C  C6  1  0.215  0.232  0.203  1.0
  C  C7  1  0.301  0.640  0.479  1.0
  C  C8  1  0.781  0.849  0.322  1.0
  C  C9  1  0.785  0.768  0.797  1.0
  C  C10  1  0.714  0.248  0.951  1.0
  C  C11  1  0.286  0.752  0.049  1.0
  C  C12  1  0.699  0.360  0.521  1.0
  N  N13  1  0.298  0.079  0.601  1.0
  N  N14  1  0.702  0.921  0.399  1.0
  N  N15  1  0.767  0.311  0.428  1.0
  N  N16  1  0.317  0.862  0.030  1.0
  N  N17  1  0.233  0.689  0.572  1.0
  N  N18  1  0.810  0.873  0.761  1.0
  N  N19  1  0.190  0.127  0.239  1.0
  N  N20  1  0.683  0.138  0.970  1.0
  O  O21  1  0.285  0.642  0.069  1.0
  O  O22  1  0.240  0.337  0.166  1.0
  O  O23  1  0.358  0.583  0.390  1.0
  O  O24  1  0.145  0.229  0.749  1.0
  O  O25  1  0.855  0.771  0.251  1.0
  O  O26  1  0.715  0.358  0.931  1.0
  O  O27  1  0.642  0.417  0.610  1.0
  O  O28  1  0.760  0.663  0.834  1.0
[/CIF]
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