The material structure described by Hg19(As5Br9)2 crystallizes in the triclinic P-1 space group. There are ten inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to two equivalent As(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted HgAs2Br4 octahedra that share corners with two equivalent As(4)Hg3As tetrahedra. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to one As(1) and one As(2) atom. In the third Hg site, Hg(3) is bonded in a distorted rectangular see-saw-like geometry to one As(1), one Br(2), one Br(5), and one Br(7) atom. In the fourth Hg site, Hg(4) is bonded in a 4-coordinate geometry to one As(1), one As(3), one Br(1), and one Br(2) atom. In the fifth Hg site, Hg(5) is bonded in a distorted rectangular see-saw-like geometry to one As(2), one Br(1), one Br(2), and one Br(5) atom. In the sixth Hg site, Hg(6) is bonded in a distorted T-shaped geometry to one As(3), one As(4), and one Br(2) atom. In the seventh Hg site, Hg(7) is bonded in a distorted rectangular see-saw-like geometry to one As(4), one Br(4), one Br(6), and one Br(9) atom. In the eighth Hg site, Hg(8) is bonded in a linear geometry to one As(4) and one As(5) atom. In the ninth Hg site, Hg(9) is bonded in a rectangular see-saw-like geometry to one As(3), one Br(3), one Br(4), and one Br(6) atom. In the tenth Hg site, Hg(10) is bonded in a linear geometry to one As(5) and one Br(8) atom. There are five inequivalent As sites. In the first As site, As(1) is bonded to one Hg(2), one Hg(3), one Hg(4), and one As(1) atom to form corner-sharing AsHg3As tetrahedra. In the second As site, As(2) is bonded to one Hg(1), one Hg(2), one Hg(5), and one As(4) atom to form corner-sharing AsHg3As tetrahedra. In the third As site, As(3) is bonded to one Hg(4), one Hg(6), one Hg(9), and one As(5) atom to form corner-sharing AsHg3As tetrahedra. In the fourth As site, As(4) is bonded to one Hg(6), one Hg(7), one Hg(8), and one As(2) atom to form AsHg3As tetrahedra that share  a cornercorner with one Hg(1)As2Br4 octahedra and  a cornercorner with one As(3)Hg3As tetrahedra. The corner-sharing octahedral tilt angles are 71°. In the fifth As site, As(5) is bonded in a 3-coordinate geometry to one Hg(10), one Hg(8), and one As(3) atom. There are nine inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Hg(4) and one Hg(5) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Hg(3), one Hg(4), one Hg(5), and one Hg(6) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Hg(1) and one Hg(9) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(7), and one Hg(9) atom. In the fifth Br site, Br(5) is bonded in a water-like geometry to one Hg(3) and one Hg(5) atom. In the sixth Br site, Br(6) is bonded in an L-shaped geometry to one Hg(7) and one Hg(9) atom. In the seventh Br site, Br(7) is bonded in a single-bond geometry to one Hg(3) atom. In the eighth Br site, Br(8) is bonded in a single-bond geometry to one Hg(10) atom. In the ninth Br site, Br(9) is bonded in a single-bond geometry to one Hg(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg19(As5Br9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.619
_cell_length_b   11.654
_cell_length_c   12.738
_cell_angle_alpha   106.126
_cell_angle_beta   106.248
_cell_angle_gamma   108.325
_symmetry_Int_Tables_number   1
_cell_volume   1439.971
_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
  Hg  Hg0  1  0.000  0.500  0.000  1.0
  Hg  Hg1  1  0.308  0.692  0.898  1.0
  Hg  Hg2  1  0.692  0.308  0.102  1.0
  Hg  Hg3  1  0.307  0.005  0.782  1.0
  Hg  Hg4  1  0.693  0.995  0.218  1.0
  Hg  Hg5  1  0.631  0.892  0.823  1.0
  Hg  Hg6  1  0.369  0.108  0.177  1.0
  Hg  Hg7  1  0.325  0.387  0.006  1.0
  Hg  Hg8  1  0.675  0.613  0.994  1.0
  Hg  Hg9  1  0.928  0.084  0.722  1.0
  Hg  Hg10  1  0.072  0.916  0.278  1.0
  Hg  Hg11  1  0.876  0.376  0.595  1.0
  Hg  Hg12  1  0.124  0.624  0.405  1.0
  Hg  Hg13  1  0.202  0.295  0.589  1.0
  Hg  Hg14  1  0.798  0.705  0.411  1.0
  Hg  Hg15  1  0.072  0.242  0.185  1.0
  Hg  Hg16  1  0.928  0.758  0.815  1.0
  Hg  Hg17  1  0.485  0.204  0.576  1.0
  Hg  Hg18  1  0.515  0.796  0.424  1.0
  As  As19  1  0.448  0.915  0.897  1.0
  As  As20  1  0.552  0.085  0.103  1.0
  As  As21  1  0.167  0.472  0.902  1.0
  As  As22  1  0.833  0.528  0.098  1.0
  As  As23  1  0.216  0.142  0.286  1.0
  As  As24  1  0.784  0.858  0.714  1.0
  As  As25  1  0.043  0.301  0.698  1.0
  As  As26  1  0.957  0.699  0.302  1.0
  As  As27  1  0.364  0.323  0.486  1.0
  As  As28  1  0.636  0.677  0.514  1.0
  Br  Br29  1  0.500  0.410  0.203  1.0
  Br  Br30  1  0.500  0.590  0.797  1.0
  Br  Br31  1  0.170  0.098  0.931  1.0
  Br  Br32  1  0.830  0.902  0.069  1.0
  Br  Br33  1  0.884  0.201  0.981  1.0
  Br  Br34  1  0.116  0.799  0.019  1.0
  Br  Br35  1  0.782  0.488  0.775  1.0
  Br  Br36  1  0.218  0.512  0.225  1.0
  Br  Br37  1  0.463  0.287  0.865  1.0
  Br  Br38  1  0.537  0.713  0.135  1.0
  Br  Br39  1  0.965  0.344  0.344  1.0
  Br  Br40  1  0.035  0.656  0.656  1.0
  Br  Br41  1  0.857  0.013  0.415  1.0
  Br  Br42  1  0.143  0.987  0.585  1.0
  Br  Br43  1  0.618  0.094  0.671  1.0
  Br  Br44  1  0.382  0.906  0.329  1.0
  Br  Br45  1  0.664  0.320  0.419  1.0
  Br  Br46  1  0.336  0.680  0.581  1.0
[/CIF]
.
The material structure described by Hg19(As5Br9)2 crystallizes in the triclinic P-1 space group. There are ten inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to two equivalent As(2), two equivalent Br(3), and two equivalent Br(4) atoms to form distorted HgAs2Br4 octahedra that share corners with two equivalent As(4)Hg3As tetrahedra. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to one As(1) and one As(2) atom. In the third Hg site, Hg(3) is bonded in a distorted rectangular see-saw-like geometry to one As(1), one Br(2), one Br(5), and one Br(7) atom. In the fourth Hg site, Hg(4) is bonded in a 4-coordinate geometry to one As(1), one As(3), one Br(1), and one Br(2) atom. In the fifth Hg site, Hg(5) is bonded in a distorted rectangular see-saw-like geometry to one As(2), one Br(1), one Br(2), and one Br(5) atom. In the sixth Hg site, Hg(6) is bonded in a distorted T-shaped geometry to one As(3), one As(4), and one Br(2) atom. In the seventh Hg site, Hg(7) is bonded in a distorted rectangular see-saw-like geometry to one As(4), one Br(4), one Br(6), and one Br(9) atom. In the eighth Hg site, Hg(8) is bonded in a linear geometry to one As(4) and one As(5) atom. In the ninth Hg site, Hg(9) is bonded in a rectangular see-saw-like geometry to one As(3), one Br(3), one Br(4), and one Br(6) atom. In the tenth Hg site, Hg(10) is bonded in a linear geometry to one As(5) and one Br(8) atom. There are five inequivalent As sites. In the first As site, As(1) is bonded to one Hg(2), one Hg(3), one Hg(4), and one As(1) atom to form corner-sharing AsHg3As tetrahedra. In the second As site, As(2) is bonded to one Hg(1), one Hg(2), one Hg(5), and one As(4) atom to form corner-sharing AsHg3As tetrahedra. In the third As site, As(3) is bonded to one Hg(4), one Hg(6), one Hg(9), and one As(5) atom to form corner-sharing AsHg3As tetrahedra. In the fourth As site, As(4) is bonded to one Hg(6), one Hg(7), one Hg(8), and one As(2) atom to form AsHg3As tetrahedra that share  a cornercorner with one Hg(1)As2Br4 octahedra and  a cornercorner with one As(3)Hg3As tetrahedra. The corner-sharing octahedral tilt angles are 71°. In the fifth As site, As(5) is bonded in a 3-coordinate geometry to one Hg(10), one Hg(8), and one As(3) atom. There are nine inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Hg(4) and one Hg(5) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Hg(3), one Hg(4), one Hg(5), and one Hg(6) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Hg(1) and one Hg(9) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(7), and one Hg(9) atom. In the fifth Br site, Br(5) is bonded in a water-like geometry to one Hg(3) and one Hg(5) atom. In the sixth Br site, Br(6) is bonded in an L-shaped geometry to one Hg(7) and one Hg(9) atom. In the seventh Br site, Br(7) is bonded in a single-bond geometry to one Hg(3) atom. In the eighth Br site, Br(8) is bonded in a single-bond geometry to one Hg(10) atom. In the ninth Br site, Br(9) is bonded in a single-bond geometry to one Hg(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg19(As5Br9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.619
_cell_length_b   11.654
_cell_length_c   12.738
_cell_angle_alpha   106.126
_cell_angle_beta   106.248
_cell_angle_gamma   108.325
_symmetry_Int_Tables_number   1
_cell_volume   1439.971
_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
  Hg  Hg0  1  0.000  0.500  0.000  1.0
  Hg  Hg1  1  0.308  0.692  0.898  1.0
  Hg  Hg2  1  0.692  0.308  0.102  1.0
  Hg  Hg3  1  0.307  0.005  0.782  1.0
  Hg  Hg4  1  0.693  0.995  0.218  1.0
  Hg  Hg5  1  0.631  0.892  0.823  1.0
  Hg  Hg6  1  0.369  0.108  0.177  1.0
  Hg  Hg7  1  0.325  0.387  0.006  1.0
  Hg  Hg8  1  0.675  0.613  0.994  1.0
  Hg  Hg9  1  0.928  0.084  0.722  1.0
  Hg  Hg10  1  0.072  0.916  0.278  1.0
  Hg  Hg11  1  0.876  0.376  0.595  1.0
  Hg  Hg12  1  0.124  0.624  0.405  1.0
  Hg  Hg13  1  0.202  0.295  0.589  1.0
  Hg  Hg14  1  0.798  0.705  0.411  1.0
  Hg  Hg15  1  0.072  0.242  0.185  1.0
  Hg  Hg16  1  0.928  0.758  0.815  1.0
  Hg  Hg17  1  0.485  0.204  0.576  1.0
  Hg  Hg18  1  0.515  0.796  0.424  1.0
  As  As19  1  0.448  0.915  0.897  1.0
  As  As20  1  0.552  0.085  0.103  1.0
  As  As21  1  0.167  0.472  0.902  1.0
  As  As22  1  0.833  0.528  0.098  1.0
  As  As23  1  0.216  0.142  0.286  1.0
  As  As24  1  0.784  0.858  0.714  1.0
  As  As25  1  0.043  0.301  0.698  1.0
  As  As26  1  0.957  0.699  0.302  1.0
  As  As27  1  0.364  0.323  0.486  1.0
  As  As28  1  0.636  0.677  0.514  1.0
  Br  Br29  1  0.500  0.410  0.203  1.0
  Br  Br30  1  0.500  0.590  0.797  1.0
  Br  Br31  1  0.170  0.098  0.931  1.0
  Br  Br32  1  0.830  0.902  0.069  1.0
  Br  Br33  1  0.884  0.201  0.981  1.0
  Br  Br34  1  0.116  0.799  0.019  1.0
  Br  Br35  1  0.782  0.488  0.775  1.0
  Br  Br36  1  0.218  0.512  0.225  1.0
  Br  Br37  1  0.463  0.287  0.865  1.0
  Br  Br38  1  0.537  0.713  0.135  1.0
  Br  Br39  1  0.965  0.344  0.344  1.0
  Br  Br40  1  0.035  0.656  0.656  1.0
  Br  Br41  1  0.857  0.013  0.415  1.0
  Br  Br42  1  0.143  0.987  0.585  1.0
  Br  Br43  1  0.618  0.094  0.671  1.0
  Br  Br44  1  0.382  0.906  0.329  1.0
  Br  Br45  1  0.664  0.320  0.419  1.0
  Br  Br46  1  0.336  0.680  0.581  1.0
[/CIF]
.