The compound described by KBi2F7 crystallizes in the triclinic P1 space group. K(1) is bonded in a 5-coordinate geometry to two equivalent F(4) and three equivalent F(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one F(2), one F(7), two equivalent F(1), and three equivalent F(6) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one F(4), one F(7), two equivalent F(3), and three equivalent F(5) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Bi(1) atoms. In the second F site, F(2) is bonded to three equivalent K(1) and one Bi(1) atom to form corner-sharing FK3Bi tetrahedra. In the third F site, F(3) is bonded in a bent 120 degrees geometry to two equivalent Bi(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Bi(2) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to three equivalent Bi(2) atoms. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to three equivalent Bi(1) atoms. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one Bi(2) atom. is represented by the CIF file [CIF]
data_KBi2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.984
_cell_length_b   4.327
_cell_length_c   10.777
_cell_angle_alpha   88.648
_cell_angle_beta   87.252
_cell_angle_gamma   63.044
_symmetry_Int_Tables_number   1
_cell_volume   165.397
_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
  K  K0  1  0.727  0.659  0.671  1.0
  Bi  Bi1  1  0.949  0.102  0.977  1.0
  Bi  Bi2  1  0.373  0.199  0.338  1.0
  F  F3  1  0.383  0.324  0.890  1.0
  F  F4  1  0.046  0.003  0.777  1.0
  F  F5  1  0.052  0.967  0.257  1.0
  F  F6  1  0.129  0.067  0.515  1.0
  F  F7  1  0.727  0.614  0.362  1.0
  F  F8  1  0.691  0.688  0.985  1.0
  F  F9  1  0.398  0.283  0.132  1.0
[/CIF]
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The compound described by KBi2F7 crystallizes in the triclinic P1 space group. K(1) is bonded in a 5-coordinate geometry to two equivalent F(4) and three equivalent F(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one F(2), one F(7), two equivalent F(1), and three equivalent F(6) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one F(4), one F(7), two equivalent F(3), and three equivalent F(5) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Bi(1) atoms. In the second F site, F(2) is bonded to three equivalent K(1) and one Bi(1) atom to form corner-sharing FK3Bi tetrahedra. In the third F site, F(3) is bonded in a bent 120 degrees geometry to two equivalent Bi(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Bi(2) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to three equivalent Bi(2) atoms. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to three equivalent Bi(1) atoms. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one Bi(2) atom. is represented by the CIF file [CIF]
data_KBi2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.984
_cell_length_b   4.327
_cell_length_c   10.777
_cell_angle_alpha   88.648
_cell_angle_beta   87.252
_cell_angle_gamma   63.044
_symmetry_Int_Tables_number   1
_cell_volume   165.397
_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
  K  K0  1  0.727  0.659  0.671  1.0
  Bi  Bi1  1  0.949  0.102  0.977  1.0
  Bi  Bi2  1  0.373  0.199  0.338  1.0
  F  F3  1  0.383  0.324  0.890  1.0
  F  F4  1  0.046  0.003  0.777  1.0
  F  F5  1  0.052  0.967  0.257  1.0
  F  F6  1  0.129  0.067  0.515  1.0
  F  F7  1  0.727  0.614  0.362  1.0
  F  F8  1  0.691  0.688  0.985  1.0
  F  F9  1  0.398  0.283  0.132  1.0
[/CIF]
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