The material described by PtBi6Cl12(Bi)6 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Bi cluster and one PtBi6Cl12 cluster. In the Bi cluster, there are six inequivalent Bi sites. In the first Bi site, Bi(4) is bonded in a 3-coordinate geometry to one Bi(11), one Bi(12), and one Bi(5) atom. In the second Bi site, Bi(5) is bonded in a 4-coordinate geometry to one Bi(10), one Bi(11), one Bi(12), and one Bi(4) atom. In the third Bi site, Bi(9) is bonded in a 3-coordinate geometry to one Bi(10), one Bi(11), and one Bi(12) atom. In the fourth Bi site, Bi(10) is bonded in a 4-coordinate geometry to one Bi(11), one Bi(12), one Bi(5), and one Bi(9) atom. In the fifth Bi site, Bi(11) is bonded in a 4-coordinate geometry to one Bi(10), one Bi(4), one Bi(5), and one Bi(9) atom. In the sixth Bi site, Bi(12) is bonded in a 4-coordinate geometry to one Bi(10), one Bi(4), one Bi(5), and one Bi(9) atom. In the PtBi6Cl12 cluster, Pt(1) is bonded in an octahedral geometry to one Bi(1), one Bi(2), one Bi(3), one Bi(6), one Bi(7), and one Bi(8) atom. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Pt(1), one Cl(11), one Cl(3), one Cl(8), and one Cl(9) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the second Bi site, Bi(2) is bonded to one Pt(1), one Cl(1), one Cl(2), one Cl(5), and one Cl(8) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the third Bi site, Bi(3) is bonded to one Pt(1), one Cl(10), one Cl(12), one Cl(2), and one Cl(7) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the fourth Bi site, Bi(6) is bonded to one Pt(1), one Cl(12), one Cl(4), one Cl(6), and one Cl(9) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the fifth Bi site, Bi(7) is bonded to one Pt(1), one Cl(3), one Cl(5), one Cl(6), and one Cl(7) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the sixth Bi site, Bi(8) is bonded to one Pt(1), one Cl(1), one Cl(10), one Cl(11), and one Cl(4) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Bi(2) and one Bi(8) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Bi(2) and one Bi(3) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Bi(1) and one Bi(7) atom. In the fourth Cl site, Cl(4) is bonded in an L-shaped geometry to one Bi(6) and one Bi(8) atom. In the fifth Cl site, Cl(5) is bonded in an L-shaped geometry to one Bi(2) and one Bi(7) atom. In the sixth Cl site, Cl(6) is bonded in an L-shaped geometry to one Bi(6) and one Bi(7) atom. In the seventh Cl site, Cl(7) is bonded in an L-shaped geometry to one Bi(3) and one Bi(7) atom. In the eighth Cl site, Cl(8) is bonded in an L-shaped geometry to one Bi(1) and one Bi(2) atom. In the ninth Cl site, Cl(9) is bonded in an L-shaped geometry to one Bi(1) and one Bi(6) atom. In the tenth Cl site, Cl(10) is bonded in an L-shaped geometry to one Bi(3) and one Bi(8) atom. In the eleventh Cl site, Cl(11) is bonded in an L-shaped geometry to one Bi(1) and one Bi(8) atom. In the twelfth Cl site, Cl(12) is bonded in an L-shaped geometry to one Bi(3) and one Bi(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi12PtCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.335
_cell_length_b   9.415
_cell_length_c   9.543
_cell_angle_alpha   89.428
_cell_angle_beta   89.438
_cell_angle_gamma   87.590
_symmetry_Int_Tables_number   1
_cell_volume   837.852
_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
  Bi  Bi0  1  0.035  0.285  0.034  1.0
  Bi  Bi1  1  0.709  0.041  0.040  1.0
  Bi  Bi2  1  0.964  0.713  0.968  1.0
  Bi  Bi3  1  0.543  0.497  0.761  1.0
  Bi  Bi4  1  0.543  0.729  0.552  1.0
  Bi  Bi5  1  0.290  0.959  0.958  1.0
  Bi  Bi6  1  0.033  0.955  0.284  1.0
  Bi  Bi7  1  0.965  0.039  0.716  1.0
  Bi  Bi8  1  0.454  0.261  0.398  1.0
  Bi  Bi9  1  0.475  0.546  0.273  1.0
  Bi  Bi10  1  0.718  0.437  0.484  1.0
  Bi  Bi11  1  0.288  0.498  0.561  1.0
  Pt  Pt12  1  0.999  0.999  1.000  1.0
  Cl  Cl13  1  0.668  0.072  0.750  1.0
  Cl  Cl14  1  0.668  0.750  0.018  1.0
  Cl  Cl15  1  0.071  0.248  0.326  1.0
  Cl  Cl16  1  0.263  0.991  0.668  1.0
  Cl  Cl17  1  0.737  0.002  0.332  1.0
  Cl  Cl18  1  0.331  0.919  0.249  1.0
  Cl  Cl19  1  0.003  0.662  0.253  1.0
  Cl  Cl20  1  0.739  0.337  0.074  1.0
  Cl  Cl21  1  0.331  0.248  0.990  1.0
  Cl  Cl22  1  0.927  0.751  0.674  1.0
  Cl  Cl23  1  0.996  0.338  0.744  1.0
  Cl  Cl24  1  0.260  0.661  0.932  1.0
[/CIF]
.
The material described by PtBi6Cl12(Bi)6 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Bi cluster and one PtBi6Cl12 cluster. In the Bi cluster, there are six inequivalent Bi sites. In the first Bi site, Bi(4) is bonded in a 3-coordinate geometry to one Bi(11), one Bi(12), and one Bi(5) atom. In the second Bi site, Bi(5) is bonded in a 4-coordinate geometry to one Bi(10), one Bi(11), one Bi(12), and one Bi(4) atom. In the third Bi site, Bi(9) is bonded in a 3-coordinate geometry to one Bi(10), one Bi(11), and one Bi(12) atom. In the fourth Bi site, Bi(10) is bonded in a 4-coordinate geometry to one Bi(11), one Bi(12), one Bi(5), and one Bi(9) atom. In the fifth Bi site, Bi(11) is bonded in a 4-coordinate geometry to one Bi(10), one Bi(4), one Bi(5), and one Bi(9) atom. In the sixth Bi site, Bi(12) is bonded in a 4-coordinate geometry to one Bi(10), one Bi(4), one Bi(5), and one Bi(9) atom. In the PtBi6Cl12 cluster, Pt(1) is bonded in an octahedral geometry to one Bi(1), one Bi(2), one Bi(3), one Bi(6), one Bi(7), and one Bi(8) atom. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Pt(1), one Cl(11), one Cl(3), one Cl(8), and one Cl(9) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the second Bi site, Bi(2) is bonded to one Pt(1), one Cl(1), one Cl(2), one Cl(5), and one Cl(8) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the third Bi site, Bi(3) is bonded to one Pt(1), one Cl(10), one Cl(12), one Cl(2), and one Cl(7) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the fourth Bi site, Bi(6) is bonded to one Pt(1), one Cl(12), one Cl(4), one Cl(6), and one Cl(9) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the fifth Bi site, Bi(7) is bonded to one Pt(1), one Cl(3), one Cl(5), one Cl(6), and one Cl(7) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. In the sixth Bi site, Bi(8) is bonded to one Pt(1), one Cl(1), one Cl(10), one Cl(11), and one Cl(4) atom to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Bi(2) and one Bi(8) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Bi(2) and one Bi(3) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Bi(1) and one Bi(7) atom. In the fourth Cl site, Cl(4) is bonded in an L-shaped geometry to one Bi(6) and one Bi(8) atom. In the fifth Cl site, Cl(5) is bonded in an L-shaped geometry to one Bi(2) and one Bi(7) atom. In the sixth Cl site, Cl(6) is bonded in an L-shaped geometry to one Bi(6) and one Bi(7) atom. In the seventh Cl site, Cl(7) is bonded in an L-shaped geometry to one Bi(3) and one Bi(7) atom. In the eighth Cl site, Cl(8) is bonded in an L-shaped geometry to one Bi(1) and one Bi(2) atom. In the ninth Cl site, Cl(9) is bonded in an L-shaped geometry to one Bi(1) and one Bi(6) atom. In the tenth Cl site, Cl(10) is bonded in an L-shaped geometry to one Bi(3) and one Bi(8) atom. In the eleventh Cl site, Cl(11) is bonded in an L-shaped geometry to one Bi(1) and one Bi(8) atom. In the twelfth Cl site, Cl(12) is bonded in an L-shaped geometry to one Bi(3) and one Bi(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi12PtCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.335
_cell_length_b   9.415
_cell_length_c   9.543
_cell_angle_alpha   89.428
_cell_angle_beta   89.438
_cell_angle_gamma   87.590
_symmetry_Int_Tables_number   1
_cell_volume   837.852
_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
  Bi  Bi0  1  0.035  0.285  0.034  1.0
  Bi  Bi1  1  0.709  0.041  0.040  1.0
  Bi  Bi2  1  0.964  0.713  0.968  1.0
  Bi  Bi3  1  0.543  0.497  0.761  1.0
  Bi  Bi4  1  0.543  0.729  0.552  1.0
  Bi  Bi5  1  0.290  0.959  0.958  1.0
  Bi  Bi6  1  0.033  0.955  0.284  1.0
  Bi  Bi7  1  0.965  0.039  0.716  1.0
  Bi  Bi8  1  0.454  0.261  0.398  1.0
  Bi  Bi9  1  0.475  0.546  0.273  1.0
  Bi  Bi10  1  0.718  0.437  0.484  1.0
  Bi  Bi11  1  0.288  0.498  0.561  1.0
  Pt  Pt12  1  0.999  0.999  1.000  1.0
  Cl  Cl13  1  0.668  0.072  0.750  1.0
  Cl  Cl14  1  0.668  0.750  0.018  1.0
  Cl  Cl15  1  0.071  0.248  0.326  1.0
  Cl  Cl16  1  0.263  0.991  0.668  1.0
  Cl  Cl17  1  0.737  0.002  0.332  1.0
  Cl  Cl18  1  0.331  0.919  0.249  1.0
  Cl  Cl19  1  0.003  0.662  0.253  1.0
  Cl  Cl20  1  0.739  0.337  0.074  1.0
  Cl  Cl21  1  0.331  0.248  0.990  1.0
  Cl  Cl22  1  0.927  0.751  0.674  1.0
  Cl  Cl23  1  0.996  0.338  0.744  1.0
  Cl  Cl24  1  0.260  0.661  0.932  1.0
[/CIF]
.