The compound described by Bi6O5F8 crystallizes in the triclinic P1 space group. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(2), one F(5), one F(6), and one F(8) atom. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(3), one O(5), one F(2), one F(6), two equivalent F(1), and two equivalent F(4) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(1), one F(3), one F(7), and one F(8) atom. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(5), one F(1), one F(2), one F(3), and one F(7) atom. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), one F(1), one F(5), and one F(6) atom. In the sixth Bi site, Bi(6) is bonded in a 7-coordinate geometry to one O(1), one O(2), two equivalent O(4), one F(3), one F(5), and one F(8) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Bi(4), one Bi(6), and two equivalent Bi(3) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(2)Bi4 tetrahedra,  a cornercorner with one F(1)Bi4 tetrahedra, corners with two equivalent O(1)Bi4 tetrahedra, edges with two equivalent O(4)Bi4 tetrahedra, and edges with two equivalent O(5)Bi4 tetrahedra. In the second O site, O(2) is bonded to one Bi(5), one Bi(6), and two equivalent Bi(1) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(1)Bi4 tetrahedra,  a cornercorner with one F(1)Bi4 tetrahedra, corners with two equivalent O(2)Bi4 tetrahedra, edges with two equivalent O(3)Bi4 tetrahedra, and edges with two equivalent O(4)Bi4 tetrahedra. In the third O site, O(3) is bonded to one Bi(1), one Bi(2), and two equivalent Bi(5) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(4)Bi4 tetrahedra,  a cornercorner with one O(5)Bi4 tetrahedra, corners with two equivalent O(3)Bi4 tetrahedra, edges with two equivalent O(2)Bi4 tetrahedra, and edges with two equivalent F(1)Bi4 tetrahedra. In the fourth O site, O(4) is bonded to one Bi(1), one Bi(3), and two equivalent Bi(6) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(4) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(3)Bi4 tetrahedra,  a cornercorner with one O(4)Bi4 tetrahedra, corners with two equivalent O(5)Bi4 tetrahedra, edges with two equivalent O(1)Bi4 tetrahedra, and edges with two equivalent F(1)Bi4 tetrahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Bi(4), one Bi(5), and two equivalent Bi(2) atoms to form distorted FBi4 tetrahedra that share  a cornercorner with one O(1)Bi4 tetrahedra,  a cornercorner with one O(2)Bi4 tetrahedra, corners with two equivalent F(1)Bi4 tetrahedra, edges with two equivalent O(3)Bi4 tetrahedra, and edges with two equivalent O(5)Bi4 tetrahedra. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Bi(2) and one Bi(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Bi(3), one Bi(4), and one Bi(6) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Bi(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(5), and one Bi(6) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(5) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Bi(3) and one Bi(4) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(3), and one Bi(6) atom. is represented by the CIF file [CIF]
data_Bi6O5F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.126
_cell_length_b   5.838
_cell_length_c   12.466
_cell_angle_alpha   87.912
_cell_angle_beta   87.689
_cell_angle_gamma   87.749
_symmetry_Int_Tables_number   1
_cell_volume   299.605
_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  0.740  0.199  0.918  1.0
  Bi  Bi1  1  0.707  0.220  0.243  1.0
  Bi  Bi2  1  0.771  0.231  0.595  1.0
  Bi  Bi3  1  0.270  0.814  0.443  1.0
  Bi  Bi4  1  0.255  0.766  0.072  1.0
  Bi  Bi5  1  0.263  0.784  0.757  1.0
  O  O6  1  0.284  0.016  0.598  1.0
  O  O7  1  0.250  0.004  0.919  1.0
  O  O8  1  0.726  0.968  0.072  1.0
  O  O9  1  0.766  0.989  0.762  1.0
  O  O10  1  0.805  0.057  0.427  1.0
  F  F11  1  0.218  0.936  0.251  1.0
  F  F12  1  0.604  0.552  0.316  1.0
  F  F13  1  0.345  0.520  0.607  1.0
  F  F14  1  0.181  0.374  0.205  1.0
  F  F15  1  0.253  0.522  0.926  1.0
  F  F16  1  0.701  0.471  0.083  1.0
  F  F17  1  0.868  0.584  0.493  1.0
  F  F18  1  0.824  0.491  0.758  1.0
[/CIF]
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The compound described by Bi6O5F8 crystallizes in the triclinic P1 space group. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(2), one F(5), one F(6), and one F(8) atom. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(3), one O(5), one F(2), one F(6), two equivalent F(1), and two equivalent F(4) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(1), one F(3), one F(7), and one F(8) atom. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(5), one F(1), one F(2), one F(3), and one F(7) atom. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), one F(1), one F(5), and one F(6) atom. In the sixth Bi site, Bi(6) is bonded in a 7-coordinate geometry to one O(1), one O(2), two equivalent O(4), one F(3), one F(5), and one F(8) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Bi(4), one Bi(6), and two equivalent Bi(3) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(2)Bi4 tetrahedra,  a cornercorner with one F(1)Bi4 tetrahedra, corners with two equivalent O(1)Bi4 tetrahedra, edges with two equivalent O(4)Bi4 tetrahedra, and edges with two equivalent O(5)Bi4 tetrahedra. In the second O site, O(2) is bonded to one Bi(5), one Bi(6), and two equivalent Bi(1) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(1)Bi4 tetrahedra,  a cornercorner with one F(1)Bi4 tetrahedra, corners with two equivalent O(2)Bi4 tetrahedra, edges with two equivalent O(3)Bi4 tetrahedra, and edges with two equivalent O(4)Bi4 tetrahedra. In the third O site, O(3) is bonded to one Bi(1), one Bi(2), and two equivalent Bi(5) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(4)Bi4 tetrahedra,  a cornercorner with one O(5)Bi4 tetrahedra, corners with two equivalent O(3)Bi4 tetrahedra, edges with two equivalent O(2)Bi4 tetrahedra, and edges with two equivalent F(1)Bi4 tetrahedra. In the fourth O site, O(4) is bonded to one Bi(1), one Bi(3), and two equivalent Bi(6) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(4) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(3)Bi4 tetrahedra,  a cornercorner with one O(4)Bi4 tetrahedra, corners with two equivalent O(5)Bi4 tetrahedra, edges with two equivalent O(1)Bi4 tetrahedra, and edges with two equivalent F(1)Bi4 tetrahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Bi(4), one Bi(5), and two equivalent Bi(2) atoms to form distorted FBi4 tetrahedra that share  a cornercorner with one O(1)Bi4 tetrahedra,  a cornercorner with one O(2)Bi4 tetrahedra, corners with two equivalent F(1)Bi4 tetrahedra, edges with two equivalent O(3)Bi4 tetrahedra, and edges with two equivalent O(5)Bi4 tetrahedra. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Bi(2) and one Bi(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Bi(3), one Bi(4), and one Bi(6) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Bi(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(5), and one Bi(6) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(5) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Bi(3) and one Bi(4) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(3), and one Bi(6) atom. is represented by the CIF file [CIF]
data_Bi6O5F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.126
_cell_length_b   5.838
_cell_length_c   12.466
_cell_angle_alpha   87.912
_cell_angle_beta   87.689
_cell_angle_gamma   87.749
_symmetry_Int_Tables_number   1
_cell_volume   299.605
_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  0.740  0.199  0.918  1.0
  Bi  Bi1  1  0.707  0.220  0.243  1.0
  Bi  Bi2  1  0.771  0.231  0.595  1.0
  Bi  Bi3  1  0.270  0.814  0.443  1.0
  Bi  Bi4  1  0.255  0.766  0.072  1.0
  Bi  Bi5  1  0.263  0.784  0.757  1.0
  O  O6  1  0.284  0.016  0.598  1.0
  O  O7  1  0.250  0.004  0.919  1.0
  O  O8  1  0.726  0.968  0.072  1.0
  O  O9  1  0.766  0.989  0.762  1.0
  O  O10  1  0.805  0.057  0.427  1.0
  F  F11  1  0.218  0.936  0.251  1.0
  F  F12  1  0.604  0.552  0.316  1.0
  F  F13  1  0.345  0.520  0.607  1.0
  F  F14  1  0.181  0.374  0.205  1.0
  F  F15  1  0.253  0.522  0.926  1.0
  F  F16  1  0.701  0.471  0.083  1.0
  F  F17  1  0.868  0.584  0.493  1.0
  F  F18  1  0.824  0.491  0.758  1.0
[/CIF]
.