The crystal structure described by KBi2F7 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one F(1), one F(4), and three equivalent F(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one F(7), three equivalent F(4), and three equivalent F(5) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one F(13), one F(2), one F(9), two equivalent F(1), and two equivalent F(14) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one F(5), one F(8), two equivalent F(3), and two equivalent F(7) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one F(11), one F(12), one F(8), two equivalent F(10), and two equivalent F(6) atoms. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one F(11), one F(13), one F(6), two equivalent F(12), and two equivalent F(9) atoms. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one K(1) and 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 distorted FK3Bi tetrahedra that share corners with six equivalent F(2)K3Bi tetrahedra and corners with three equivalent F(4)K4 trigonal pyramids. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Bi(2) atoms. In the fourth F site, F(4) is bonded to one K(1) and three equivalent K(2) atoms to form distorted FK4 trigonal pyramids that share corners with three equivalent F(2)K3Bi tetrahedra and corners with six equivalent F(4)K4 trigonal pyramids. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to three equivalent K(2) and one Bi(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Bi(4) and two equivalent Bi(3) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one K(2) and two equivalent Bi(2) atoms. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Bi(2) and one Bi(3) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Bi(1) and two equivalent Bi(4) atoms. In the tenth F site, F(10) is bonded in a distorted bent 150 degrees geometry to two equivalent Bi(3) atoms. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Bi(3) and one Bi(4) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Bi(3) and two equivalent Bi(4) atoms. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Bi(1) and one Bi(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBi2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.321
_cell_length_b   4.325
_cell_length_c   20.903
_cell_angle_alpha   85.024
_cell_angle_beta   85.057
_cell_angle_gamma   67.377
_symmetry_Int_Tables_number   1
_cell_volume   358.663
_cell_formula_units_Z   2
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  0.631  0.650  0.161  1.0
  K  K1  1  0.352  0.380  0.332  1.0
  Bi  Bi2  1  0.929  0.089  0.999  1.0
  Bi  Bi3  1  0.857  0.104  0.503  1.0
  Bi  Bi4  1  0.548  0.761  0.671  1.0
  Bi  Bi5  1  0.236  0.417  0.832  1.0
  F  F6  1  0.722  0.590  0.036  1.0
  F  F7  1  0.995  0.996  0.105  1.0
  F  F8  1  0.691  0.644  0.525  1.0
  F  F9  1  0.685  0.754  0.273  1.0
  F  F10  1  0.938  0.092  0.401  1.0
  F  F11  1  0.468  0.211  0.722  1.0
  F  F12  1  0.347  0.302  0.472  1.0
  F  F13  1  0.461  0.185  0.599  1.0
  F  F14  1  0.164  0.885  0.879  1.0
  F  F15  1  0.067  0.843  0.631  1.0
  F  F16  1  0.151  0.827  0.755  1.0
  F  F17  1  0.769  0.507  0.788  1.0
  F  F18  1  0.825  0.486  0.912  1.0
  F  F19  1  0.375  0.251  0.983  1.0
[/CIF]
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The crystal structure described by KBi2F7 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one F(1), one F(4), and three equivalent F(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one F(7), three equivalent F(4), and three equivalent F(5) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one F(13), one F(2), one F(9), two equivalent F(1), and two equivalent F(14) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one F(5), one F(8), two equivalent F(3), and two equivalent F(7) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one F(11), one F(12), one F(8), two equivalent F(10), and two equivalent F(6) atoms. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one F(11), one F(13), one F(6), two equivalent F(12), and two equivalent F(9) atoms. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one K(1) and 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 distorted FK3Bi tetrahedra that share corners with six equivalent F(2)K3Bi tetrahedra and corners with three equivalent F(4)K4 trigonal pyramids. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Bi(2) atoms. In the fourth F site, F(4) is bonded to one K(1) and three equivalent K(2) atoms to form distorted FK4 trigonal pyramids that share corners with three equivalent F(2)K3Bi tetrahedra and corners with six equivalent F(4)K4 trigonal pyramids. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to three equivalent K(2) and one Bi(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Bi(4) and two equivalent Bi(3) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one K(2) and two equivalent Bi(2) atoms. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Bi(2) and one Bi(3) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Bi(1) and two equivalent Bi(4) atoms. In the tenth F site, F(10) is bonded in a distorted bent 150 degrees geometry to two equivalent Bi(3) atoms. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Bi(3) and one Bi(4) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Bi(3) and two equivalent Bi(4) atoms. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Bi(1) and one Bi(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBi2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.321
_cell_length_b   4.325
_cell_length_c   20.903
_cell_angle_alpha   85.024
_cell_angle_beta   85.057
_cell_angle_gamma   67.377
_symmetry_Int_Tables_number   1
_cell_volume   358.663
_cell_formula_units_Z   2
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  0.631  0.650  0.161  1.0
  K  K1  1  0.352  0.380  0.332  1.0
  Bi  Bi2  1  0.929  0.089  0.999  1.0
  Bi  Bi3  1  0.857  0.104  0.503  1.0
  Bi  Bi4  1  0.548  0.761  0.671  1.0
  Bi  Bi5  1  0.236  0.417  0.832  1.0
  F  F6  1  0.722  0.590  0.036  1.0
  F  F7  1  0.995  0.996  0.105  1.0
  F  F8  1  0.691  0.644  0.525  1.0
  F  F9  1  0.685  0.754  0.273  1.0
  F  F10  1  0.938  0.092  0.401  1.0
  F  F11  1  0.468  0.211  0.722  1.0
  F  F12  1  0.347  0.302  0.472  1.0
  F  F13  1  0.461  0.185  0.599  1.0
  F  F14  1  0.164  0.885  0.879  1.0
  F  F15  1  0.067  0.843  0.631  1.0
  F  F16  1  0.151  0.827  0.755  1.0
  F  F17  1  0.769  0.507  0.788  1.0
  F  F18  1  0.825  0.486  0.912  1.0
  F  F19  1  0.375  0.251  0.983  1.0
[/CIF]
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