The compound described by K2BiF5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Bi(1) is bonded to one F(1), one F(3), one F(4), and four equivalent F(2) atoms to form edge-sharing BiF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Bi(1) atom to form a mixture of edge, corner, and face-sharing FK4Bi square pyramids. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent K(1) and two equivalent Bi(1) atoms. In the third F site, F(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Bi(1) atom. In the fourth F site, F(4) is bonded to four equivalent K(1) and one Bi(1) atom to form a mixture of distorted edge, corner, and face-sharing FK4Bi trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2BiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.591
_cell_length_b   7.470
_cell_length_c   11.211
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.909
_cell_formula_units_Z   4
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  0.995  0.001  0.331  1.0
  K  K1  1  0.995  0.499  0.331  1.0
  K  K2  1  0.495  0.501  0.169  1.0
  K  K3  1  0.505  0.499  0.831  1.0
  K  K4  1  0.005  0.501  0.669  1.0
  K  K5  1  0.505  0.001  0.831  1.0
  K  K6  1  0.495  0.999  0.169  1.0
  K  K7  1  0.005  0.999  0.669  1.0
  Bi  Bi8  1  0.065  0.250  0.957  1.0
  Bi  Bi9  1  0.435  0.250  0.457  1.0
  Bi  Bi10  1  0.565  0.750  0.543  1.0
  Bi  Bi11  1  0.935  0.750  0.043  1.0
  F  F12  1  0.776  0.750  0.219  1.0
  F  F13  1  0.887  0.455  0.095  1.0
  F  F14  1  0.691  0.250  0.329  1.0
  F  F15  1  0.613  0.455  0.595  1.0
  F  F16  1  0.387  0.545  0.405  1.0
  F  F17  1  0.724  0.750  0.719  1.0
  F  F18  1  0.901  0.750  0.493  1.0
  F  F19  1  0.599  0.750  0.993  1.0
  F  F20  1  0.276  0.250  0.281  1.0
  F  F21  1  0.887  0.045  0.095  1.0
  F  F22  1  0.309  0.750  0.671  1.0
  F  F23  1  0.809  0.250  0.829  1.0
  F  F24  1  0.224  0.250  0.781  1.0
  F  F25  1  0.387  0.955  0.405  1.0
  F  F26  1  0.401  0.250  0.007  1.0
  F  F27  1  0.099  0.250  0.507  1.0
  F  F28  1  0.613  0.045  0.595  1.0
  F  F29  1  0.113  0.955  0.905  1.0
  F  F30  1  0.191  0.750  0.171  1.0
  F  F31  1  0.113  0.545  0.905  1.0
[/CIF]
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The compound described by K2BiF5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Bi(1) is bonded to one F(1), one F(3), one F(4), and four equivalent F(2) atoms to form edge-sharing BiF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Bi(1) atom to form a mixture of edge, corner, and face-sharing FK4Bi square pyramids. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent K(1) and two equivalent Bi(1) atoms. In the third F site, F(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Bi(1) atom. In the fourth F site, F(4) is bonded to four equivalent K(1) and one Bi(1) atom to form a mixture of distorted edge, corner, and face-sharing FK4Bi trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2BiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.591
_cell_length_b   7.470
_cell_length_c   11.211
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.909
_cell_formula_units_Z   4
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  0.995  0.001  0.331  1.0
  K  K1  1  0.995  0.499  0.331  1.0
  K  K2  1  0.495  0.501  0.169  1.0
  K  K3  1  0.505  0.499  0.831  1.0
  K  K4  1  0.005  0.501  0.669  1.0
  K  K5  1  0.505  0.001  0.831  1.0
  K  K6  1  0.495  0.999  0.169  1.0
  K  K7  1  0.005  0.999  0.669  1.0
  Bi  Bi8  1  0.065  0.250  0.957  1.0
  Bi  Bi9  1  0.435  0.250  0.457  1.0
  Bi  Bi10  1  0.565  0.750  0.543  1.0
  Bi  Bi11  1  0.935  0.750  0.043  1.0
  F  F12  1  0.776  0.750  0.219  1.0
  F  F13  1  0.887  0.455  0.095  1.0
  F  F14  1  0.691  0.250  0.329  1.0
  F  F15  1  0.613  0.455  0.595  1.0
  F  F16  1  0.387  0.545  0.405  1.0
  F  F17  1  0.724  0.750  0.719  1.0
  F  F18  1  0.901  0.750  0.493  1.0
  F  F19  1  0.599  0.750  0.993  1.0
  F  F20  1  0.276  0.250  0.281  1.0
  F  F21  1  0.887  0.045  0.095  1.0
  F  F22  1  0.309  0.750  0.671  1.0
  F  F23  1  0.809  0.250  0.829  1.0
  F  F24  1  0.224  0.250  0.781  1.0
  F  F25  1  0.387  0.955  0.405  1.0
  F  F26  1  0.401  0.250  0.007  1.0
  F  F27  1  0.099  0.250  0.507  1.0
  F  F28  1  0.613  0.045  0.595  1.0
  F  F29  1  0.113  0.955  0.905  1.0
  F  F30  1  0.191  0.750  0.171  1.0
  F  F31  1  0.113  0.545  0.905  1.0
[/CIF]
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