The structure described by Cs2Hg(BSe)9 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one Se(2), one Se(5), one Se(6), one Se(7), one Se(9), two equivalent Se(3), and two equivalent Se(8) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one B(7), one Se(2), one Se(5), one Se(6), one Se(7), one Se(9), two equivalent Se(1), and two equivalent Se(4) atoms. Hg(1) is bonded in a distorted trigonal planar geometry to one Se(7), one Se(8), and one Se(9) atom. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one B(2), one B(3), one B(4), one B(5), one B(6), and one Se(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(4), one B(5), one B(6), and one Se(2) atom. In the third B site, B(3) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(4), one B(5), one B(6), and one Se(3) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(3), one B(5), one B(6), and one Se(4) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(3), one B(4), one B(6), and one Se(5) atom. In the sixth B site, B(6) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(3), one B(4), one B(5), and one Se(6) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one Cs(2), one Se(1), one Se(2), and one Se(7) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one Se(5), one Se(6), and one Se(9) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one Se(3), one Se(4), and one Se(8) atom. There are nine inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(2), one B(1), and one B(7) atom. In the second Se site, Se(2) is bonded in a distorted L-shaped geometry to one Cs(1), one Cs(2), one B(2), and one B(7) atom. In the third Se site, Se(3) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), one B(3), and one B(9) atom. In the fourth Se site, Se(4) is bonded in a distorted L-shaped geometry to two equivalent Cs(2), one B(4), and one B(9) atom. In the fifth Se site, Se(5) is bonded in a distorted L-shaped geometry to one Cs(1), one Cs(2), one B(5), and one B(8) atom. In the sixth Se site, Se(6) is bonded in a distorted L-shaped geometry to one Cs(1), one Cs(2), one B(6), and one B(8) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Hg(1), and one B(7) atom. In the eighth Se site, Se(8) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Hg(1), and one B(9) atom. In the ninth Se site, Se(9) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Hg(1), and one B(8) atom. is represented by the CIF file [CIF]
data_Cs2Hg(BSe)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.113
_cell_length_b   10.950
_cell_length_c   11.271
_cell_angle_alpha   100.093
_cell_angle_beta   90.479
_cell_angle_gamma   116.071
_symmetry_Int_Tables_number   1
_cell_volume   1098.637
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.205  0.827  0.998  1.0
  Cs  Cs1  1  0.795  0.173  0.002  1.0
  Cs  Cs2  1  0.823  0.654  0.485  1.0
  Cs  Cs3  1  0.177  0.346  0.515  1.0
  Hg  Hg4  1  0.672  0.675  0.925  1.0
  Hg  Hg5  1  0.328  0.325  0.075  1.0
  B  B6  1  0.487  0.840  0.450  1.0
  B  B7  1  0.513  0.160  0.550  1.0
  B  B8  1  0.340  0.880  0.414  1.0
  B  B9  1  0.660  0.120  0.586  1.0
  B  B10  1  0.514  0.956  0.351  1.0
  B  B11  1  0.486  0.044  0.649  1.0
  B  B12  1  0.660  0.993  0.462  1.0
  B  B13  1  0.340  0.007  0.538  1.0
  B  B14  1  0.578  0.940  0.596  1.0
  B  B15  1  0.422  0.060  0.404  1.0
  B  B16  1  0.382  0.872  0.566  1.0
  B  B17  1  0.618  0.128  0.434  1.0
  B  B18  1  0.257  0.590  0.288  1.0
  B  B19  1  0.743  0.410  0.712  1.0
  B  B20  1  0.435  0.720  0.742  1.0
  B  B21  1  0.565  0.280  0.258  1.0
  B  B22  1  0.746  0.908  0.220  1.0
  B  B23  1  0.254  0.092  0.780  1.0
  Se  Se24  1  0.449  0.644  0.377  1.0
  Se  Se25  1  0.551  0.356  0.623  1.0
  Se  Se26  1  0.167  0.720  0.308  1.0
  Se  Se27  1  0.833  0.280  0.692  1.0
  Se  Se28  1  0.552  0.900  0.180  1.0
  Se  Se29  1  0.448  0.100  0.820  1.0
  Se  Se30  1  0.835  0.975  0.390  1.0
  Se  Se31  1  0.165  0.025  0.610  1.0
  Se  Se32  1  0.638  0.849  0.714  1.0
  Se  Se33  1  0.362  0.151  0.286  1.0
  Se  Se34  1  0.263  0.721  0.657  1.0
  Se  Se35  1  0.737  0.279  0.343  1.0
  Se  Se36  1  0.140  0.407  0.188  1.0
  Se  Se37  1  0.860  0.593  0.812  1.0
  Se  Se38  1  0.864  0.865  0.100  1.0
  Se  Se39  1  0.136  0.135  0.900  1.0
  Se  Se40  1  0.396  0.593  0.853  1.0
  Se  Se41  1  0.604  0.407  0.147  1.0
[/CIF]
.
The structure described by Cs2Hg(BSe)9 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one Se(2), one Se(5), one Se(6), one Se(7), one Se(9), two equivalent Se(3), and two equivalent Se(8) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one B(7), one Se(2), one Se(5), one Se(6), one Se(7), one Se(9), two equivalent Se(1), and two equivalent Se(4) atoms. Hg(1) is bonded in a distorted trigonal planar geometry to one Se(7), one Se(8), and one Se(9) atom. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one B(2), one B(3), one B(4), one B(5), one B(6), and one Se(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(4), one B(5), one B(6), and one Se(2) atom. In the third B site, B(3) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(4), one B(5), one B(6), and one Se(3) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(3), one B(5), one B(6), and one Se(4) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(3), one B(4), one B(6), and one Se(5) atom. In the sixth B site, B(6) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(3), one B(4), one B(5), and one Se(6) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one Cs(2), one Se(1), one Se(2), and one Se(7) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one Se(5), one Se(6), and one Se(9) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one Se(3), one Se(4), and one Se(8) atom. There are nine inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(2), one B(1), and one B(7) atom. In the second Se site, Se(2) is bonded in a distorted L-shaped geometry to one Cs(1), one Cs(2), one B(2), and one B(7) atom. In the third Se site, Se(3) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), one B(3), and one B(9) atom. In the fourth Se site, Se(4) is bonded in a distorted L-shaped geometry to two equivalent Cs(2), one B(4), and one B(9) atom. In the fifth Se site, Se(5) is bonded in a distorted L-shaped geometry to one Cs(1), one Cs(2), one B(5), and one B(8) atom. In the sixth Se site, Se(6) is bonded in a distorted L-shaped geometry to one Cs(1), one Cs(2), one B(6), and one B(8) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Hg(1), and one B(7) atom. In the eighth Se site, Se(8) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Hg(1), and one B(9) atom. In the ninth Se site, Se(9) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Hg(1), and one B(8) atom. is represented by the CIF file [CIF]
data_Cs2Hg(BSe)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.113
_cell_length_b   10.950
_cell_length_c   11.271
_cell_angle_alpha   100.093
_cell_angle_beta   90.479
_cell_angle_gamma   116.071
_symmetry_Int_Tables_number   1
_cell_volume   1098.637
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.205  0.827  0.998  1.0
  Cs  Cs1  1  0.795  0.173  0.002  1.0
  Cs  Cs2  1  0.823  0.654  0.485  1.0
  Cs  Cs3  1  0.177  0.346  0.515  1.0
  Hg  Hg4  1  0.672  0.675  0.925  1.0
  Hg  Hg5  1  0.328  0.325  0.075  1.0
  B  B6  1  0.487  0.840  0.450  1.0
  B  B7  1  0.513  0.160  0.550  1.0
  B  B8  1  0.340  0.880  0.414  1.0
  B  B9  1  0.660  0.120  0.586  1.0
  B  B10  1  0.514  0.956  0.351  1.0
  B  B11  1  0.486  0.044  0.649  1.0
  B  B12  1  0.660  0.993  0.462  1.0
  B  B13  1  0.340  0.007  0.538  1.0
  B  B14  1  0.578  0.940  0.596  1.0
  B  B15  1  0.422  0.060  0.404  1.0
  B  B16  1  0.382  0.872  0.566  1.0
  B  B17  1  0.618  0.128  0.434  1.0
  B  B18  1  0.257  0.590  0.288  1.0
  B  B19  1  0.743  0.410  0.712  1.0
  B  B20  1  0.435  0.720  0.742  1.0
  B  B21  1  0.565  0.280  0.258  1.0
  B  B22  1  0.746  0.908  0.220  1.0
  B  B23  1  0.254  0.092  0.780  1.0
  Se  Se24  1  0.449  0.644  0.377  1.0
  Se  Se25  1  0.551  0.356  0.623  1.0
  Se  Se26  1  0.167  0.720  0.308  1.0
  Se  Se27  1  0.833  0.280  0.692  1.0
  Se  Se28  1  0.552  0.900  0.180  1.0
  Se  Se29  1  0.448  0.100  0.820  1.0
  Se  Se30  1  0.835  0.975  0.390  1.0
  Se  Se31  1  0.165  0.025  0.610  1.0
  Se  Se32  1  0.638  0.849  0.714  1.0
  Se  Se33  1  0.362  0.151  0.286  1.0
  Se  Se34  1  0.263  0.721  0.657  1.0
  Se  Se35  1  0.737  0.279  0.343  1.0
  Se  Se36  1  0.140  0.407  0.188  1.0
  Se  Se37  1  0.860  0.593  0.812  1.0
  Se  Se38  1  0.864  0.865  0.100  1.0
  Se  Se39  1  0.136  0.135  0.900  1.0
  Se  Se40  1  0.396  0.593  0.853  1.0
  Se  Se41  1  0.604  0.407  0.147  1.0
[/CIF]
.