The compound described by KBiF4 crystallizes in the monoclinic Cm 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(5), and three equivalent F(8) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one F(3), one F(4), and three equivalent F(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one F(4), one F(6), two equivalent F(2), and two equivalent F(3) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one F(2), one F(8), two equivalent F(5), two equivalent F(6), and three equivalent F(7) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one K(1) and three equivalent K(2) atoms to form FK4 tetrahedra that share corners with three equivalent F(8)K3Bi tetrahedra and corners with six equivalent F(1)K4 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one K(2) and two equivalent Bi(1) atoms. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one K(2) and one Bi(1) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one K(1) and two equivalent Bi(2) atoms. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Bi(1) and two equivalent Bi(2) atoms. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to three equivalent Bi(2) atoms. In the eighth F site, F(8) is bonded to three equivalent K(1) and one Bi(2) atom to form FK3Bi tetrahedra that share corners with three equivalent F(1)K4 tetrahedra and corners with six equivalent F(8)K3Bi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBiF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.464
_cell_length_b   4.464
_cell_length_c   14.450
_cell_angle_alpha   77.156
_cell_angle_beta   77.156
_cell_angle_gamma   52.705
_symmetry_Int_Tables_number   1
_cell_volume   221.913
_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  0.034  0.034  0.998  1.0
  K  K1  1  0.767  0.767  0.742  1.0
  Bi  Bi2  1  0.564  0.564  0.495  1.0
  Bi  Bi3  1  0.275  0.275  0.238  1.0
  F  F4  1  0.068  0.068  0.821  1.0
  F  F5  1  0.091  0.091  0.408  1.0
  F  F6  1  0.068  0.068  0.597  1.0
  F  F7  1  0.793  0.793  0.545  1.0
  F  F8  1  0.909  0.909  0.178  1.0
  F  F9  1  0.780  0.780  0.362  1.0
  F  F10  1  0.551  0.551  0.253  1.0
  F  F11  1  0.310  0.310  0.075  1.0
[/CIF]
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The compound described by KBiF4 crystallizes in the monoclinic Cm 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(5), and three equivalent F(8) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one F(3), one F(4), and three equivalent F(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one F(4), one F(6), two equivalent F(2), and two equivalent F(3) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one F(2), one F(8), two equivalent F(5), two equivalent F(6), and three equivalent F(7) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one K(1) and three equivalent K(2) atoms to form FK4 tetrahedra that share corners with three equivalent F(8)K3Bi tetrahedra and corners with six equivalent F(1)K4 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one K(2) and two equivalent Bi(1) atoms. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one K(2) and one Bi(1) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one K(1) and two equivalent Bi(2) atoms. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Bi(1) and two equivalent Bi(2) atoms. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to three equivalent Bi(2) atoms. In the eighth F site, F(8) is bonded to three equivalent K(1) and one Bi(2) atom to form FK3Bi tetrahedra that share corners with three equivalent F(1)K4 tetrahedra and corners with six equivalent F(8)K3Bi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBiF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.464
_cell_length_b   4.464
_cell_length_c   14.450
_cell_angle_alpha   77.156
_cell_angle_beta   77.156
_cell_angle_gamma   52.705
_symmetry_Int_Tables_number   1
_cell_volume   221.913
_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  0.034  0.034  0.998  1.0
  K  K1  1  0.767  0.767  0.742  1.0
  Bi  Bi2  1  0.564  0.564  0.495  1.0
  Bi  Bi3  1  0.275  0.275  0.238  1.0
  F  F4  1  0.068  0.068  0.821  1.0
  F  F5  1  0.091  0.091  0.408  1.0
  F  F6  1  0.068  0.068  0.597  1.0
  F  F7  1  0.793  0.793  0.545  1.0
  F  F8  1  0.909  0.909  0.178  1.0
  F  F9  1  0.780  0.780  0.362  1.0
  F  F10  1  0.551  0.551  0.253  1.0
  F  F11  1  0.310  0.310  0.075  1.0
[/CIF]
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