The material described by Ba8Bi2F17 crystallizes in the trigonal R3m space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted pentagonal planar geometry to one F(14), one F(2), and three equivalent F(17) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(7), three equivalent F(3), and three equivalent F(5) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one F(4), three equivalent F(1), and three equivalent F(2) atoms. In the fourth Ba site, Ba(4) is bonded in a distorted pentagonal planar geometry to one F(1), one F(5), and three equivalent F(4) atoms. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one F(11), three equivalent F(6), and three equivalent F(9) atoms. In the sixth Ba site, Ba(6) is bonded in a distorted pentagonal planar geometry to one F(3), one F(9), and three equivalent F(7) atoms. In the seventh Ba site, Ba(7) is bonded in a body-centered cubic geometry to one F(15), one F(8), three equivalent F(10), and three equivalent F(13) atoms. In the eighth Ba site, Ba(8) is bonded in a body-centered cubic geometry to one F(12), one F(17), three equivalent F(14), and three equivalent F(16) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one F(13), three equivalent F(11), and three equivalent F(8) atoms. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to one F(10), one F(16), three equivalent F(12), and three equivalent F(15) atoms. There are seventeen inequivalent F sites. In the first F site, F(1) is bonded to one Ba(4) and three equivalent Ba(3) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the second F site, F(2) is bonded to one Ba(1) and three equivalent Ba(3) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the third F site, F(3) is bonded to one Ba(6) and three equivalent Ba(2) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the fourth F site, F(4) is bonded to one Ba(3) and three equivalent Ba(4) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the fifth F site, F(5) is bonded to one Ba(4) and three equivalent Ba(2) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(5) atoms. In the seventh F site, F(7) is bonded to one Ba(2) and three equivalent Ba(6) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the eighth F site, F(8) is bonded to one Ba(7) and three equivalent Bi(1) atoms to form FBaBi3 tetrahedra that share  a cornercorner with one F(15)BaBi3 tetrahedra, corners with three equivalent F(10)Ba3Bi tetrahedra, corners with three equivalent F(11)BaBi3 tetrahedra, corners with six equivalent F(8)BaBi3 tetrahedra, edges with three equivalent F(13)Ba3Bi tetrahedra, and edges with three equivalent F(11)BaBi3 tetrahedra. In the ninth F site, F(9) is bonded to one Ba(6) and three equivalent Ba(5) atoms to form FBa4 tetrahedra that share  a cornercorner with one F(3)Ba4 tetrahedra, corners with three equivalent F(7)Ba4 tetrahedra, corners with three equivalent F(11)BaBi3 tetrahedra, and corners with six equivalent F(9)Ba4 tetrahedra. In the tenth F site, F(10) is bonded to three equivalent Ba(7) and one Bi(2) atom to form FBa3Bi tetrahedra that share corners with three equivalent F(13)Ba3Bi tetrahedra, corners with three equivalent F(12)BaBi3 tetrahedra, corners with three equivalent F(8)BaBi3 tetrahedra, corners with six equivalent F(10)Ba3Bi tetrahedra, edges with three equivalent F(13)Ba3Bi tetrahedra, and edges with three equivalent F(15)BaBi3 tetrahedra. In the eleventh F site, F(11) is bonded to one Ba(5) and three equivalent Bi(1) atoms to form FBaBi3 tetrahedra that share corners with three equivalent F(13)Ba3Bi tetrahedra, corners with three equivalent F(9)Ba4 tetrahedra, corners with three equivalent F(8)BaBi3 tetrahedra, corners with six equivalent F(11)BaBi3 tetrahedra, and edges with three equivalent F(8)BaBi3 tetrahedra. In the twelfth F site, F(12) is bonded to one Ba(8) and three equivalent Bi(2) atoms to form FBaBi3 tetrahedra that share  a cornercorner with one F(17)Ba4 tetrahedra, corners with three equivalent F(10)Ba3Bi tetrahedra, corners with three equivalent F(14)Ba4 tetrahedra, corners with three equivalent F(15)BaBi3 tetrahedra, corners with six equivalent F(12)BaBi3 tetrahedra, and edges with three equivalent F(15)BaBi3 tetrahedra. In the thirteenth F site, F(13) is bonded to three equivalent Ba(7) and one Bi(1) atom to form FBa3Bi tetrahedra that share corners with three equivalent F(10)Ba3Bi tetrahedra, corners with three equivalent F(11)BaBi3 tetrahedra, corners with three equivalent F(15)BaBi3 tetrahedra, corners with six equivalent F(13)Ba3Bi tetrahedra, edges with three equivalent F(10)Ba3Bi tetrahedra, and edges with three equivalent F(8)BaBi3 tetrahedra. In the fourteenth F site, F(14) is bonded to one Ba(1) and three equivalent Ba(8) atoms to form FBa4 tetrahedra that share  a cornercorner with one F(2)Ba4 tetrahedra, corners with three equivalent F(12)BaBi3 tetrahedra, corners with six equivalent F(14)Ba4 tetrahedra, and edges with three equivalent F(17)Ba4 tetrahedra. In the fifteenth F site, F(15) is bonded to one Ba(7) and three equivalent Bi(2) atoms to form FBaBi3 tetrahedra that share  a cornercorner with one F(8)BaBi3 tetrahedra, corners with three equivalent F(13)Ba3Bi tetrahedra, corners with three equivalent F(12)BaBi3 tetrahedra, corners with six equivalent F(15)BaBi3 tetrahedra, edges with three equivalent F(10)Ba3Bi tetrahedra, and edges with three equivalent F(12)BaBi3 tetrahedra. In the sixteenth F site, F(16) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ba(8) and one Bi(2) atom. In the seventeenth F site, F(17) is bonded to one Ba(8) and three equivalent Ba(1) atoms to form FBa4 tetrahedra that share  a cornercorner with one F(12)BaBi3 tetrahedra, corners with three equivalent F(2)Ba4 tetrahedra, corners with six equivalent F(17)Ba4 tetrahedra, and edges with three equivalent F(14)Ba4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba8Bi2F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.392
_cell_length_b   4.392
_cell_length_c   44.481
_cell_angle_alpha   60.413
_cell_angle_beta   60.413
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   610.590
_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
  Ba  Ba0  1  0.009  0.009  0.997  1.0
  Ba  Ba1  1  0.998  0.998  0.301  1.0
  Ba  Ba2  1  0.999  0.999  0.100  1.0
  Ba  Ba3  1  0.001  0.001  0.200  1.0
  Ba  Ba4  1  0.982  0.982  0.506  1.0
  Ba  Ba5  1  0.999  0.999  0.400  1.0
  Ba  Ba6  1  1.000  1.000  0.700  1.0
  Ba  Ba7  1  0.013  0.013  0.896  1.0
  Bi  Bi8  1  0.990  0.990  0.603  1.0
  Bi  Bi9  1  0.008  0.008  0.798  1.0
  F  F10  1  0.248  0.248  0.126  1.0
  F  F11  1  0.754  0.754  0.074  1.0
  F  F12  1  0.247  0.247  0.326  1.0
  F  F13  1  0.749  0.749  0.175  1.0
  F  F14  1  0.752  0.752  0.274  1.0
  F  F15  1  0.257  0.257  0.523  1.0
  F  F16  1  0.746  0.746  0.376  1.0
  F  F17  1  0.252  0.252  0.624  1.0
  F  F18  1  0.762  0.762  0.471  1.0
  F  F19  1  0.243  0.243  0.727  1.0
  F  F20  1  0.743  0.743  0.577  1.0
  F  F21  1  0.257  0.257  0.823  1.0
  F  F22  1  0.749  0.749  0.675  1.0
  F  F23  1  0.249  0.249  0.925  1.0
  F  F24  1  0.746  0.746  0.776  1.0
  F  F25  1  0.752  0.752  0.875  1.0
  F  F26  1  0.747  0.747  0.976  1.0
[/CIF]
.
The material described by Ba8Bi2F17 crystallizes in the trigonal R3m space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted pentagonal planar geometry to one F(14), one F(2), and three equivalent F(17) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one F(7), three equivalent F(3), and three equivalent F(5) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one F(4), three equivalent F(1), and three equivalent F(2) atoms. In the fourth Ba site, Ba(4) is bonded in a distorted pentagonal planar geometry to one F(1), one F(5), and three equivalent F(4) atoms. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one F(11), three equivalent F(6), and three equivalent F(9) atoms. In the sixth Ba site, Ba(6) is bonded in a distorted pentagonal planar geometry to one F(3), one F(9), and three equivalent F(7) atoms. In the seventh Ba site, Ba(7) is bonded in a body-centered cubic geometry to one F(15), one F(8), three equivalent F(10), and three equivalent F(13) atoms. In the eighth Ba site, Ba(8) is bonded in a body-centered cubic geometry to one F(12), one F(17), three equivalent F(14), and three equivalent F(16) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one F(13), three equivalent F(11), and three equivalent F(8) atoms. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to one F(10), one F(16), three equivalent F(12), and three equivalent F(15) atoms. There are seventeen inequivalent F sites. In the first F site, F(1) is bonded to one Ba(4) and three equivalent Ba(3) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the second F site, F(2) is bonded to one Ba(1) and three equivalent Ba(3) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the third F site, F(3) is bonded to one Ba(6) and three equivalent Ba(2) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the fourth F site, F(4) is bonded to one Ba(3) and three equivalent Ba(4) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the fifth F site, F(5) is bonded to one Ba(4) and three equivalent Ba(2) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(5) atoms. In the seventh F site, F(7) is bonded to one Ba(2) and three equivalent Ba(6) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the eighth F site, F(8) is bonded to one Ba(7) and three equivalent Bi(1) atoms to form FBaBi3 tetrahedra that share  a cornercorner with one F(15)BaBi3 tetrahedra, corners with three equivalent F(10)Ba3Bi tetrahedra, corners with three equivalent F(11)BaBi3 tetrahedra, corners with six equivalent F(8)BaBi3 tetrahedra, edges with three equivalent F(13)Ba3Bi tetrahedra, and edges with three equivalent F(11)BaBi3 tetrahedra. In the ninth F site, F(9) is bonded to one Ba(6) and three equivalent Ba(5) atoms to form FBa4 tetrahedra that share  a cornercorner with one F(3)Ba4 tetrahedra, corners with three equivalent F(7)Ba4 tetrahedra, corners with three equivalent F(11)BaBi3 tetrahedra, and corners with six equivalent F(9)Ba4 tetrahedra. In the tenth F site, F(10) is bonded to three equivalent Ba(7) and one Bi(2) atom to form FBa3Bi tetrahedra that share corners with three equivalent F(13)Ba3Bi tetrahedra, corners with three equivalent F(12)BaBi3 tetrahedra, corners with three equivalent F(8)BaBi3 tetrahedra, corners with six equivalent F(10)Ba3Bi tetrahedra, edges with three equivalent F(13)Ba3Bi tetrahedra, and edges with three equivalent F(15)BaBi3 tetrahedra. In the eleventh F site, F(11) is bonded to one Ba(5) and three equivalent Bi(1) atoms to form FBaBi3 tetrahedra that share corners with three equivalent F(13)Ba3Bi tetrahedra, corners with three equivalent F(9)Ba4 tetrahedra, corners with three equivalent F(8)BaBi3 tetrahedra, corners with six equivalent F(11)BaBi3 tetrahedra, and edges with three equivalent F(8)BaBi3 tetrahedra. In the twelfth F site, F(12) is bonded to one Ba(8) and three equivalent Bi(2) atoms to form FBaBi3 tetrahedra that share  a cornercorner with one F(17)Ba4 tetrahedra, corners with three equivalent F(10)Ba3Bi tetrahedra, corners with three equivalent F(14)Ba4 tetrahedra, corners with three equivalent F(15)BaBi3 tetrahedra, corners with six equivalent F(12)BaBi3 tetrahedra, and edges with three equivalent F(15)BaBi3 tetrahedra. In the thirteenth F site, F(13) is bonded to three equivalent Ba(7) and one Bi(1) atom to form FBa3Bi tetrahedra that share corners with three equivalent F(10)Ba3Bi tetrahedra, corners with three equivalent F(11)BaBi3 tetrahedra, corners with three equivalent F(15)BaBi3 tetrahedra, corners with six equivalent F(13)Ba3Bi tetrahedra, edges with three equivalent F(10)Ba3Bi tetrahedra, and edges with three equivalent F(8)BaBi3 tetrahedra. In the fourteenth F site, F(14) is bonded to one Ba(1) and three equivalent Ba(8) atoms to form FBa4 tetrahedra that share  a cornercorner with one F(2)Ba4 tetrahedra, corners with three equivalent F(12)BaBi3 tetrahedra, corners with six equivalent F(14)Ba4 tetrahedra, and edges with three equivalent F(17)Ba4 tetrahedra. In the fifteenth F site, F(15) is bonded to one Ba(7) and three equivalent Bi(2) atoms to form FBaBi3 tetrahedra that share  a cornercorner with one F(8)BaBi3 tetrahedra, corners with three equivalent F(13)Ba3Bi tetrahedra, corners with three equivalent F(12)BaBi3 tetrahedra, corners with six equivalent F(15)BaBi3 tetrahedra, edges with three equivalent F(10)Ba3Bi tetrahedra, and edges with three equivalent F(12)BaBi3 tetrahedra. In the sixteenth F site, F(16) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ba(8) and one Bi(2) atom. In the seventeenth F site, F(17) is bonded to one Ba(8) and three equivalent Ba(1) atoms to form FBa4 tetrahedra that share  a cornercorner with one F(12)BaBi3 tetrahedra, corners with three equivalent F(2)Ba4 tetrahedra, corners with six equivalent F(17)Ba4 tetrahedra, and edges with three equivalent F(14)Ba4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba8Bi2F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.392
_cell_length_b   4.392
_cell_length_c   44.481
_cell_angle_alpha   60.413
_cell_angle_beta   60.413
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   610.590
_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
  Ba  Ba0  1  0.009  0.009  0.997  1.0
  Ba  Ba1  1  0.998  0.998  0.301  1.0
  Ba  Ba2  1  0.999  0.999  0.100  1.0
  Ba  Ba3  1  0.001  0.001  0.200  1.0
  Ba  Ba4  1  0.982  0.982  0.506  1.0
  Ba  Ba5  1  0.999  0.999  0.400  1.0
  Ba  Ba6  1  1.000  1.000  0.700  1.0
  Ba  Ba7  1  0.013  0.013  0.896  1.0
  Bi  Bi8  1  0.990  0.990  0.603  1.0
  Bi  Bi9  1  0.008  0.008  0.798  1.0
  F  F10  1  0.248  0.248  0.126  1.0
  F  F11  1  0.754  0.754  0.074  1.0
  F  F12  1  0.247  0.247  0.326  1.0
  F  F13  1  0.749  0.749  0.175  1.0
  F  F14  1  0.752  0.752  0.274  1.0
  F  F15  1  0.257  0.257  0.523  1.0
  F  F16  1  0.746  0.746  0.376  1.0
  F  F17  1  0.252  0.252  0.624  1.0
  F  F18  1  0.762  0.762  0.471  1.0
  F  F19  1  0.243  0.243  0.727  1.0
  F  F20  1  0.743  0.743  0.577  1.0
  F  F21  1  0.257  0.257  0.823  1.0
  F  F22  1  0.749  0.749  0.675  1.0
  F  F23  1  0.249  0.249  0.925  1.0
  F  F24  1  0.746  0.746  0.776  1.0
  F  F25  1  0.752  0.752  0.875  1.0
  F  F26  1  0.747  0.747  0.976  1.0
[/CIF]
.