The structure described by KZrF5 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one F(13), one F(14), one F(2), one F(4), one F(5), one F(8), and one F(9) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one F(10), one F(14), one F(2), one F(3), one F(6), one F(8), one F(9), and two equivalent F(12) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one F(13), one F(14), one F(4), one F(6), two equivalent F(1), and two equivalent F(5) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one F(15), one F(2), one F(3), one F(6), one F(8), one F(9), and two equivalent F(11) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(15), one F(4), one F(5), one F(7), and two equivalent F(13) atoms. In the third Zr site, Zr(3) is bonded in a 8-coordinate geometry to one F(1), one F(12), one F(14), one F(3), one F(4), one F(6), one F(7), and one F(9) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded to two equivalent K(3), one Zr(2), and one Zr(3) atom to form a mixture of distorted corner and edge-sharing FK2Zr2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Zr(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one K(2), one Zr(1), and one Zr(3) atom. In the fourth F site, F(4) is bonded to one K(1), one K(3), one Zr(2), and one Zr(3) atom to form a mixture of corner and edge-sharing FK2Zr2 tetrahedra. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(3), and one Zr(2) atom. In the sixth F site, F(6) is bonded to one K(2), one K(3), one Zr(1), and one Zr(3) atom to form a mixture of corner and edge-sharing FK2Zr2 tetrahedra. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Zr(2) and one Zr(3) atom. In the eighth F site, F(8) is bonded in a 1-coordinate geometry to one K(1), one K(2), and one Zr(1) atom. In the ninth F site, F(9) is bonded to one K(1), one K(2), one Zr(1), and one Zr(3) atom to form a mixture of corner and edge-sharing FK2Zr2 tetrahedra. In the tenth F site, F(10) is bonded in a 2-coordinate geometry to one K(2) and one Zr(2) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to two equivalent Zr(1) atoms. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to two equivalent K(2) and one Zr(3) atom. In the thirteenth F site, F(13) is bonded to one K(1), one K(3), and two equivalent Zr(2) atoms to form a mixture of distorted corner and edge-sharing FK2Zr2 tetrahedra. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), and one Zr(3) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZrF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   8.447
_cell_length_c   10.680
_cell_angle_alpha   75.555
_cell_angle_beta   71.999
_cell_angle_gamma   66.471
_symmetry_Int_Tables_number   1
_cell_volume   570.711
_cell_formula_units_Z   6
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  0.712  0.507  0.770  1.0
  K  K1  1  0.744  0.155  0.070  1.0
  K  K2  1  0.223  0.180  0.576  1.0
  K  K3  1  0.777  0.820  0.424  1.0
  K  K4  1  0.256  0.845  0.930  1.0
  K  K5  1  0.288  0.493  0.230  1.0
  Zr  Zr6  1  0.766  0.660  0.081  1.0
  Zr  Zr7  1  0.741  0.334  0.431  1.0
  Zr  Zr8  1  0.259  0.666  0.569  1.0
  Zr  Zr9  1  0.281  0.972  0.256  1.0
  Zr  Zr10  1  0.234  0.340  0.919  1.0
  Zr  Zr11  1  0.719  0.028  0.744  1.0
  F  F12  1  0.628  0.127  0.555  1.0
  F  F13  1  0.983  0.721  0.113  1.0
  F  F14  1  0.330  0.126  0.061  1.0
  F  F15  1  0.819  0.243  0.624  1.0
  F  F16  1  0.032  0.577  0.599  1.0
  F  F17  1  0.388  0.115  0.801  1.0
  F  F18  1  0.009  0.111  0.389  1.0
  F  F19  1  0.664  0.506  0.028  1.0
  F  F20  1  0.578  0.236  0.862  1.0
  F  F21  1  0.686  0.246  0.296  1.0
  F  F22  1  0.990  0.598  0.897  1.0
  F  F23  1  0.058  0.994  0.176  1.0
  F  F24  1  0.612  0.885  0.199  1.0
  F  F25  1  0.594  0.559  0.536  1.0
  F  F26  1  0.345  0.167  0.285  1.0
  F  F27  1  0.406  0.441  0.464  1.0
  F  F28  1  0.670  0.874  0.939  1.0
  F  F29  1  0.017  0.279  0.887  1.0
  F  F30  1  0.010  0.402  0.103  1.0
  F  F31  1  0.181  0.757  0.376  1.0
  F  F32  1  0.655  0.833  0.715  1.0
  F  F33  1  0.682  0.555  0.279  1.0
  F  F34  1  0.991  0.889  0.611  1.0
  F  F35  1  0.422  0.764  0.138  1.0
  F  F36  1  0.318  0.445  0.721  1.0
  F  F37  1  0.968  0.423  0.401  1.0
  F  F38  1  0.942  0.006  0.824  1.0
  F  F39  1  0.336  0.494  0.972  1.0
  F  F40  1  0.314  0.754  0.704  1.0
  F  F41  1  0.372  0.873  0.445  1.0
[/CIF]
.
The structure described by KZrF5 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one F(13), one F(14), one F(2), one F(4), one F(5), one F(8), and one F(9) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one F(10), one F(14), one F(2), one F(3), one F(6), one F(8), one F(9), and two equivalent F(12) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one F(13), one F(14), one F(4), one F(6), two equivalent F(1), and two equivalent F(5) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one F(15), one F(2), one F(3), one F(6), one F(8), one F(9), and two equivalent F(11) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(15), one F(4), one F(5), one F(7), and two equivalent F(13) atoms. In the third Zr site, Zr(3) is bonded in a 8-coordinate geometry to one F(1), one F(12), one F(14), one F(3), one F(4), one F(6), one F(7), and one F(9) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded to two equivalent K(3), one Zr(2), and one Zr(3) atom to form a mixture of distorted corner and edge-sharing FK2Zr2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Zr(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one K(2), one Zr(1), and one Zr(3) atom. In the fourth F site, F(4) is bonded to one K(1), one K(3), one Zr(2), and one Zr(3) atom to form a mixture of corner and edge-sharing FK2Zr2 tetrahedra. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(3), and one Zr(2) atom. In the sixth F site, F(6) is bonded to one K(2), one K(3), one Zr(1), and one Zr(3) atom to form a mixture of corner and edge-sharing FK2Zr2 tetrahedra. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Zr(2) and one Zr(3) atom. In the eighth F site, F(8) is bonded in a 1-coordinate geometry to one K(1), one K(2), and one Zr(1) atom. In the ninth F site, F(9) is bonded to one K(1), one K(2), one Zr(1), and one Zr(3) atom to form a mixture of corner and edge-sharing FK2Zr2 tetrahedra. In the tenth F site, F(10) is bonded in a 2-coordinate geometry to one K(2) and one Zr(2) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to two equivalent Zr(1) atoms. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to two equivalent K(2) and one Zr(3) atom. In the thirteenth F site, F(13) is bonded to one K(1), one K(3), and two equivalent Zr(2) atoms to form a mixture of distorted corner and edge-sharing FK2Zr2 tetrahedra. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), and one Zr(3) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZrF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   8.447
_cell_length_c   10.680
_cell_angle_alpha   75.555
_cell_angle_beta   71.999
_cell_angle_gamma   66.471
_symmetry_Int_Tables_number   1
_cell_volume   570.711
_cell_formula_units_Z   6
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  0.712  0.507  0.770  1.0
  K  K1  1  0.744  0.155  0.070  1.0
  K  K2  1  0.223  0.180  0.576  1.0
  K  K3  1  0.777  0.820  0.424  1.0
  K  K4  1  0.256  0.845  0.930  1.0
  K  K5  1  0.288  0.493  0.230  1.0
  Zr  Zr6  1  0.766  0.660  0.081  1.0
  Zr  Zr7  1  0.741  0.334  0.431  1.0
  Zr  Zr8  1  0.259  0.666  0.569  1.0
  Zr  Zr9  1  0.281  0.972  0.256  1.0
  Zr  Zr10  1  0.234  0.340  0.919  1.0
  Zr  Zr11  1  0.719  0.028  0.744  1.0
  F  F12  1  0.628  0.127  0.555  1.0
  F  F13  1  0.983  0.721  0.113  1.0
  F  F14  1  0.330  0.126  0.061  1.0
  F  F15  1  0.819  0.243  0.624  1.0
  F  F16  1  0.032  0.577  0.599  1.0
  F  F17  1  0.388  0.115  0.801  1.0
  F  F18  1  0.009  0.111  0.389  1.0
  F  F19  1  0.664  0.506  0.028  1.0
  F  F20  1  0.578  0.236  0.862  1.0
  F  F21  1  0.686  0.246  0.296  1.0
  F  F22  1  0.990  0.598  0.897  1.0
  F  F23  1  0.058  0.994  0.176  1.0
  F  F24  1  0.612  0.885  0.199  1.0
  F  F25  1  0.594  0.559  0.536  1.0
  F  F26  1  0.345  0.167  0.285  1.0
  F  F27  1  0.406  0.441  0.464  1.0
  F  F28  1  0.670  0.874  0.939  1.0
  F  F29  1  0.017  0.279  0.887  1.0
  F  F30  1  0.010  0.402  0.103  1.0
  F  F31  1  0.181  0.757  0.376  1.0
  F  F32  1  0.655  0.833  0.715  1.0
  F  F33  1  0.682  0.555  0.279  1.0
  F  F34  1  0.991  0.889  0.611  1.0
  F  F35  1  0.422  0.764  0.138  1.0
  F  F36  1  0.318  0.445  0.721  1.0
  F  F37  1  0.968  0.423  0.401  1.0
  F  F38  1  0.942  0.006  0.824  1.0
  F  F39  1  0.336  0.494  0.972  1.0
  F  F40  1  0.314  0.754  0.704  1.0
  F  F41  1  0.372  0.873  0.445  1.0
[/CIF]
.