The compound described by Hg5(SbI3)2 crystallizes in the orthorhombic Pna2_1 space group. There are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to one Sb(2), one I(1), one I(2), and one I(6) atom. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to one Sb(2), one I(3), and one I(6) atom. In the third Hg site, Hg(3) is bonded in a 3-coordinate geometry to one Sb(1), one I(2), and one I(5) atom. In the fourth Hg site, Hg(4) is bonded in a rectangular see-saw-like geometry to one Sb(1), one I(3), one I(4), and one I(5) atom. In the fifth Hg site, Hg(5) is bonded in a trigonal pyramidal geometry to one Sb(2), one I(1), one I(4), and one I(5) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Hg(3), one Hg(4), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a tetrahedral geometry to one Hg(1), one Hg(2), one Hg(5), and one Sb(1) atom. There are six inequivalent I sites. In the first I site, I(2) is bonded in a distorted L-shaped geometry to one Hg(1) and one Hg(3) atom. In the second I site, I(3) is bonded in a water-like geometry to one Hg(2) and one Hg(4) atom. In the third I site, I(4) is bonded in an L-shaped geometry to one Hg(4) and one Hg(5) atom. In the fourth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Hg(3), one Hg(4), and one Hg(5) atom. In the fifth I site, I(6) is bonded in a distorted single-bond geometry to one Hg(1) and one Hg(2) atom. In the sixth I site, I(1) is bonded in an L-shaped geometry to one Hg(1) and one Hg(5) atom. is represented by the CIF card [CIF]
data_Hg5(SbI3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.299
_cell_length_b   10.991
_cell_length_c   21.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1974.594
_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
  Hg  Hg0  1  0.910  0.781  0.175  1.0
  Hg  Hg1  1  0.090  0.281  0.825  1.0
  Hg  Hg2  1  0.590  0.781  0.675  1.0
  Hg  Hg3  1  0.410  0.281  0.325  1.0
  Hg  Hg4  1  0.154  0.663  0.770  1.0
  Hg  Hg5  1  0.846  0.163  0.230  1.0
  Hg  Hg6  1  0.346  0.663  0.270  1.0
  Hg  Hg7  1  0.654  0.163  0.730  1.0
  Hg  Hg8  1  0.952  0.500  0.602  1.0
  Hg  Hg9  1  0.048  0.000  0.398  1.0
  Hg  Hg10  1  0.548  0.500  0.102  1.0
  Hg  Hg11  1  0.452  0.000  0.898  1.0
  Hg  Hg12  1  0.230  0.642  0.479  1.0
  Hg  Hg13  1  0.770  0.142  0.521  1.0
  Hg  Hg14  1  0.270  0.642  0.979  1.0
  Hg  Hg15  1  0.730  0.142  0.021  1.0
  Hg  Hg16  1  0.086  0.904  0.614  1.0
  Hg  Hg17  1  0.914  0.404  0.386  1.0
  Hg  Hg18  1  0.414  0.904  0.114  1.0
  Hg  Hg19  1  0.586  0.404  0.886  1.0
  Sb  Sb20  1  0.226  0.508  0.083  1.0
  Sb  Sb21  1  0.774  0.008  0.917  1.0
  Sb  Sb22  1  0.274  0.508  0.583  1.0
  Sb  Sb23  1  0.726  0.008  0.417  1.0
  Sb  Sb24  1  0.223  0.722  0.159  1.0
  Sb  Sb25  1  0.777  0.222  0.841  1.0
  Sb  Sb26  1  0.277  0.722  0.659  1.0
  Sb  Sb27  1  0.723  0.222  0.341  1.0
  I  I28  1  0.797  0.785  0.558  1.0
  I  I29  1  0.203  0.285  0.442  1.0
  I  I30  1  0.703  0.785  0.058  1.0
  I  I31  1  0.297  0.285  0.942  1.0
  I  I32  1  0.252  0.001  0.294  1.0
  I  I33  1  0.748  0.501  0.706  1.0
  I  I34  1  0.248  0.001  0.794  1.0
  I  I35  1  0.752  0.501  0.206  1.0
  I  I36  1  0.005  0.607  0.877  1.0
  I  I37  1  0.995  0.107  0.123  1.0
  I  I38  1  0.495  0.607  0.377  1.0
  I  I39  1  0.505  0.107  0.623  1.0
  I  I40  1  0.493  0.152  0.121  1.0
  I  I41  1  0.507  0.652  0.879  1.0
  I  I42  1  0.007  0.152  0.621  1.0
  I  I43  1  0.993  0.652  0.379  1.0
  I  I44  1  0.708  0.413  0.512  1.0
  I  I45  1  0.292  0.913  0.488  1.0
  I  I46  1  0.792  0.413  0.012  1.0
  I  I47  1  0.208  0.913  0.988  1.0
  I  I48  1  0.318  0.378  0.748  1.0
  I  I49  1  0.682  0.878  0.252  1.0
  I  I50  1  0.182  0.378  0.248  1.0
  I  I51  1  0.818  0.878  0.752  1.0
[/CIF]
.
The compound described by Hg5(SbI3)2 crystallizes in the orthorhombic Pna2_1 space group. There are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to one Sb(2), one I(1), one I(2), and one I(6) atom. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to one Sb(2), one I(3), and one I(6) atom. In the third Hg site, Hg(3) is bonded in a 3-coordinate geometry to one Sb(1), one I(2), and one I(5) atom. In the fourth Hg site, Hg(4) is bonded in a rectangular see-saw-like geometry to one Sb(1), one I(3), one I(4), and one I(5) atom. In the fifth Hg site, Hg(5) is bonded in a trigonal pyramidal geometry to one Sb(2), one I(1), one I(4), and one I(5) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Hg(3), one Hg(4), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a tetrahedral geometry to one Hg(1), one Hg(2), one Hg(5), and one Sb(1) atom. There are six inequivalent I sites. In the first I site, I(2) is bonded in a distorted L-shaped geometry to one Hg(1) and one Hg(3) atom. In the second I site, I(3) is bonded in a water-like geometry to one Hg(2) and one Hg(4) atom. In the third I site, I(4) is bonded in an L-shaped geometry to one Hg(4) and one Hg(5) atom. In the fourth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Hg(3), one Hg(4), and one Hg(5) atom. In the fifth I site, I(6) is bonded in a distorted single-bond geometry to one Hg(1) and one Hg(2) atom. In the sixth I site, I(1) is bonded in an L-shaped geometry to one Hg(1) and one Hg(5) atom. is represented by the CIF card [CIF]
data_Hg5(SbI3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.299
_cell_length_b   10.991
_cell_length_c   21.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1974.594
_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
  Hg  Hg0  1  0.910  0.781  0.175  1.0
  Hg  Hg1  1  0.090  0.281  0.825  1.0
  Hg  Hg2  1  0.590  0.781  0.675  1.0
  Hg  Hg3  1  0.410  0.281  0.325  1.0
  Hg  Hg4  1  0.154  0.663  0.770  1.0
  Hg  Hg5  1  0.846  0.163  0.230  1.0
  Hg  Hg6  1  0.346  0.663  0.270  1.0
  Hg  Hg7  1  0.654  0.163  0.730  1.0
  Hg  Hg8  1  0.952  0.500  0.602  1.0
  Hg  Hg9  1  0.048  0.000  0.398  1.0
  Hg  Hg10  1  0.548  0.500  0.102  1.0
  Hg  Hg11  1  0.452  0.000  0.898  1.0
  Hg  Hg12  1  0.230  0.642  0.479  1.0
  Hg  Hg13  1  0.770  0.142  0.521  1.0
  Hg  Hg14  1  0.270  0.642  0.979  1.0
  Hg  Hg15  1  0.730  0.142  0.021  1.0
  Hg  Hg16  1  0.086  0.904  0.614  1.0
  Hg  Hg17  1  0.914  0.404  0.386  1.0
  Hg  Hg18  1  0.414  0.904  0.114  1.0
  Hg  Hg19  1  0.586  0.404  0.886  1.0
  Sb  Sb20  1  0.226  0.508  0.083  1.0
  Sb  Sb21  1  0.774  0.008  0.917  1.0
  Sb  Sb22  1  0.274  0.508  0.583  1.0
  Sb  Sb23  1  0.726  0.008  0.417  1.0
  Sb  Sb24  1  0.223  0.722  0.159  1.0
  Sb  Sb25  1  0.777  0.222  0.841  1.0
  Sb  Sb26  1  0.277  0.722  0.659  1.0
  Sb  Sb27  1  0.723  0.222  0.341  1.0
  I  I28  1  0.797  0.785  0.558  1.0
  I  I29  1  0.203  0.285  0.442  1.0
  I  I30  1  0.703  0.785  0.058  1.0
  I  I31  1  0.297  0.285  0.942  1.0
  I  I32  1  0.252  0.001  0.294  1.0
  I  I33  1  0.748  0.501  0.706  1.0
  I  I34  1  0.248  0.001  0.794  1.0
  I  I35  1  0.752  0.501  0.206  1.0
  I  I36  1  0.005  0.607  0.877  1.0
  I  I37  1  0.995  0.107  0.123  1.0
  I  I38  1  0.495  0.607  0.377  1.0
  I  I39  1  0.505  0.107  0.623  1.0
  I  I40  1  0.493  0.152  0.121  1.0
  I  I41  1  0.507  0.652  0.879  1.0
  I  I42  1  0.007  0.152  0.621  1.0
  I  I43  1  0.993  0.652  0.379  1.0
  I  I44  1  0.708  0.413  0.512  1.0
  I  I45  1  0.292  0.913  0.488  1.0
  I  I46  1  0.792  0.413  0.012  1.0
  I  I47  1  0.208  0.913  0.988  1.0
  I  I48  1  0.318  0.378  0.748  1.0
  I  I49  1  0.682  0.878  0.252  1.0
  I  I50  1  0.182  0.378  0.248  1.0
  I  I51  1  0.818  0.878  0.752  1.0
[/CIF]
.