The structure described by CsGa5(HgSe3)4 crystallizes in the triclinic P1 space group. Cs(1) is bonded to one Se(1), one Se(10), one Se(11), one Se(12), one Se(2), one Se(3), one Se(4), one Se(5), one Se(6), one Se(7), one Se(8), and one Se(9) atom to form CsSe12 cuboctahedra that share corners with two equivalent Hg(1)Se4 tetrahedra, corners with two equivalent Hg(2)Se4 tetrahedra, corners with two equivalent Hg(3)Se4 tetrahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with two equivalent Ga(2)Se4 tetrahedra, corners with two equivalent Ga(3)Se4 tetrahedra,  an edgeedge with one Hg(1)Se4 tetrahedra,  an edgeedge with one Hg(2)Se4 tetrahedra,  an edgeedge with one Hg(3)Se4 tetrahedra,  an edgeedge with one Ga(1)Se4 tetrahedra,  an edgeedge with one Ga(2)Se4 tetrahedra,  an edgeedge with one Ga(3)Se4 tetrahedra, edges with two equivalent Hg(4)Se4 tetrahedra, edges with two equivalent Ga(4)Se4 tetrahedra, and edges with two equivalent Ga(5)Se4 tetrahedra. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one Se(1), one Se(10), one Se(11), and one Se(7) atom to form HgSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the second Hg site, Hg(2) is bonded to one Se(11), one Se(12), one Se(2), and one Se(8) atom to form HgSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the third Hg site, Hg(3) is bonded to one Se(10), one Se(12), one Se(3), and one Se(9) atom to form HgSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the fourth Hg site, Hg(4) is bonded to one Se(2), one Se(3), one Se(4), and one Se(7) atom to form HgSe4 tetrahedra that share  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and edges with two equivalent Cs(1)Se12 cuboctahedra. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Se(12), one Se(5), one Se(6), and one Se(7) atom to form GaSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the second Ga site, Ga(2) is bonded to one Se(10), one Se(4), one Se(6), and one Se(8) atom to form GaSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the third Ga site, Ga(3) is bonded to one Se(11), one Se(4), one Se(5), and one Se(9) atom to form GaSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the fourth Ga site, Ga(4) is bonded to one Se(1), one Se(3), one Se(5), and one Se(8) atom to form GaSe4 tetrahedra that share  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and edges with two equivalent Cs(1)Se12 cuboctahedra. In the fifth Ga site, Ga(5) is bonded to one Se(1), one Se(2), one Se(6), and one Se(9) atom to form GaSe4 tetrahedra that share  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra, and edges with two equivalent Cs(1)Se12 cuboctahedra. There are twelve inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(1), one Ga(4), and one Ga(5) atom. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(2), one Hg(4), and one Ga(5) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(3), one Hg(4), and one Ga(4) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Hg(4), one Ga(2), and one Ga(3) atom. In the fifth Se site, Se(5) is bonded in a trigonal non-coplanar geometry to one Cs(1), one Ga(1), one Ga(3), and one Ga(4) atom. In the sixth Se site, Se(6) is bonded in a trigonal non-coplanar geometry to one Cs(1), one Ga(1), one Ga(2), and one Ga(5) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(1), one Hg(4), and one Ga(1) atom. In the eighth Se site, Se(8) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(2), one Ga(2), and one Ga(4) atom. In the ninth Se site, Se(9) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(3), one Ga(3), and one Ga(5) atom. In the tenth Se site, Se(10) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(1), one Hg(3), and one Ga(2) atom. In the eleventh Se site, Se(11) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(1), one Hg(2), and one Ga(3) atom. In the twelfth Se site, Se(12) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(2), one Hg(3), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGa5(HgSe3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.140
_cell_length_b   9.155
_cell_length_c   9.207
_cell_angle_alpha   107.143
_cell_angle_beta   108.075
_cell_angle_gamma   107.414
_symmetry_Int_Tables_number   1
_cell_volume   631.849
_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
  Cs  Cs0  1  0.997  0.997  0.996  1.0
  Ga  Ga1  1  0.484  0.334  0.942  1.0
  Ga  Ga2  1  0.938  0.488  0.340  1.0
  Ga  Ga3  1  0.329  0.934  0.481  1.0
  Ga  Ga4  1  0.017  0.186  0.556  1.0
  Ga  Ga5  1  0.561  0.027  0.188  1.0
  Hg  Hg6  1  0.630  0.708  0.397  1.0
  Hg  Hg7  1  0.400  0.635  0.714  1.0
  Hg  Hg8  1  0.709  0.395  0.630  1.0
  Hg  Hg9  1  0.190  0.564  0.020  1.0
  Se  Se10  1  0.786  0.940  0.293  1.0
  Se  Se11  1  0.308  0.812  0.935  1.0
  Se  Se12  1  0.924  0.272  0.769  1.0
  Se  Se13  1  0.067  0.698  0.245  1.0
  Se  Se14  1  0.233  0.083  0.686  1.0
  Se  Se15  1  0.696  0.234  0.083  1.0
  Se  Se16  1  0.377  0.416  0.147  1.0
  Se  Se17  1  0.138  0.367  0.433  1.0
  Se  Se18  1  0.427  0.134  0.362  1.0
  Se  Se19  1  0.884  0.639  0.564  1.0
  Se  Se20  1  0.557  0.879  0.635  1.0
  Se  Se21  1  0.639  0.553  0.880  1.0
[/CIF]
.
The structure described by CsGa5(HgSe3)4 crystallizes in the triclinic P1 space group. Cs(1) is bonded to one Se(1), one Se(10), one Se(11), one Se(12), one Se(2), one Se(3), one Se(4), one Se(5), one Se(6), one Se(7), one Se(8), and one Se(9) atom to form CsSe12 cuboctahedra that share corners with two equivalent Hg(1)Se4 tetrahedra, corners with two equivalent Hg(2)Se4 tetrahedra, corners with two equivalent Hg(3)Se4 tetrahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with two equivalent Ga(2)Se4 tetrahedra, corners with two equivalent Ga(3)Se4 tetrahedra,  an edgeedge with one Hg(1)Se4 tetrahedra,  an edgeedge with one Hg(2)Se4 tetrahedra,  an edgeedge with one Hg(3)Se4 tetrahedra,  an edgeedge with one Ga(1)Se4 tetrahedra,  an edgeedge with one Ga(2)Se4 tetrahedra,  an edgeedge with one Ga(3)Se4 tetrahedra, edges with two equivalent Hg(4)Se4 tetrahedra, edges with two equivalent Ga(4)Se4 tetrahedra, and edges with two equivalent Ga(5)Se4 tetrahedra. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one Se(1), one Se(10), one Se(11), and one Se(7) atom to form HgSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the second Hg site, Hg(2) is bonded to one Se(11), one Se(12), one Se(2), and one Se(8) atom to form HgSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the third Hg site, Hg(3) is bonded to one Se(10), one Se(12), one Se(3), and one Se(9) atom to form HgSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the fourth Hg site, Hg(4) is bonded to one Se(2), one Se(3), one Se(4), and one Se(7) atom to form HgSe4 tetrahedra that share  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and edges with two equivalent Cs(1)Se12 cuboctahedra. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Se(12), one Se(5), one Se(6), and one Se(7) atom to form GaSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the second Ga site, Ga(2) is bonded to one Se(10), one Se(4), one Se(6), and one Se(8) atom to form GaSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the third Ga site, Ga(3) is bonded to one Se(11), one Se(4), one Se(5), and one Se(9) atom to form GaSe4 tetrahedra that share corners with two equivalent Cs(1)Se12 cuboctahedra,  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and  an edgeedge with one Cs(1)Se12 cuboctahedra. In the fourth Ga site, Ga(4) is bonded to one Se(1), one Se(3), one Se(5), and one Se(8) atom to form GaSe4 tetrahedra that share  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(5)Se4 tetrahedra, and edges with two equivalent Cs(1)Se12 cuboctahedra. In the fifth Ga site, Ga(5) is bonded to one Se(1), one Se(2), one Se(6), and one Se(9) atom to form GaSe4 tetrahedra that share  a cornercorner with one Hg(1)Se4 tetrahedra,  a cornercorner with one Hg(2)Se4 tetrahedra,  a cornercorner with one Hg(3)Se4 tetrahedra,  a cornercorner with one Hg(4)Se4 tetrahedra,  a cornercorner with one Ga(1)Se4 tetrahedra,  a cornercorner with one Ga(2)Se4 tetrahedra,  a cornercorner with one Ga(3)Se4 tetrahedra,  a cornercorner with one Ga(4)Se4 tetrahedra, and edges with two equivalent Cs(1)Se12 cuboctahedra. There are twelve inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(1), one Ga(4), and one Ga(5) atom. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(2), one Hg(4), and one Ga(5) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(3), one Hg(4), and one Ga(4) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Hg(4), one Ga(2), and one Ga(3) atom. In the fifth Se site, Se(5) is bonded in a trigonal non-coplanar geometry to one Cs(1), one Ga(1), one Ga(3), and one Ga(4) atom. In the sixth Se site, Se(6) is bonded in a trigonal non-coplanar geometry to one Cs(1), one Ga(1), one Ga(2), and one Ga(5) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(1), one Hg(4), and one Ga(1) atom. In the eighth Se site, Se(8) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(2), one Ga(2), and one Ga(4) atom. In the ninth Se site, Se(9) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(3), one Ga(3), and one Ga(5) atom. In the tenth Se site, Se(10) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(1), one Hg(3), and one Ga(2) atom. In the eleventh Se site, Se(11) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(1), one Hg(2), and one Ga(3) atom. In the twelfth Se site, Se(12) is bonded in a 4-coordinate geometry to one Cs(1), one Hg(2), one Hg(3), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGa5(HgSe3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.140
_cell_length_b   9.155
_cell_length_c   9.207
_cell_angle_alpha   107.143
_cell_angle_beta   108.075
_cell_angle_gamma   107.414
_symmetry_Int_Tables_number   1
_cell_volume   631.849
_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
  Cs  Cs0  1  0.997  0.997  0.996  1.0
  Ga  Ga1  1  0.484  0.334  0.942  1.0
  Ga  Ga2  1  0.938  0.488  0.340  1.0
  Ga  Ga3  1  0.329  0.934  0.481  1.0
  Ga  Ga4  1  0.017  0.186  0.556  1.0
  Ga  Ga5  1  0.561  0.027  0.188  1.0
  Hg  Hg6  1  0.630  0.708  0.397  1.0
  Hg  Hg7  1  0.400  0.635  0.714  1.0
  Hg  Hg8  1  0.709  0.395  0.630  1.0
  Hg  Hg9  1  0.190  0.564  0.020  1.0
  Se  Se10  1  0.786  0.940  0.293  1.0
  Se  Se11  1  0.308  0.812  0.935  1.0
  Se  Se12  1  0.924  0.272  0.769  1.0
  Se  Se13  1  0.067  0.698  0.245  1.0
  Se  Se14  1  0.233  0.083  0.686  1.0
  Se  Se15  1  0.696  0.234  0.083  1.0
  Se  Se16  1  0.377  0.416  0.147  1.0
  Se  Se17  1  0.138  0.367  0.433  1.0
  Se  Se18  1  0.427  0.134  0.362  1.0
  Se  Se19  1  0.884  0.639  0.564  1.0
  Se  Se20  1  0.557  0.879  0.635  1.0
  Se  Se21  1  0.639  0.553  0.880  1.0
[/CIF]
.