The material described by KAlF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(3) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(3), two equivalent F(4), and four equivalent F(2) atoms. Al(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are five inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Al(1) atom. In the second F site, F(4) is bonded in a distorted linear geometry to two equivalent K(2) and two equivalent Al(1) atoms. In the third F site, F(5) is bonded in a linear geometry to two equivalent Al(1) atoms. In the fourth F site, F(1) is bonded in a distorted water-like geometry to one K(2) and two equivalent Al(1) atoms. In the fifth F site, F(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_KAlF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.237
_cell_length_b   8.194
_cell_length_c   11.765
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.601
_cell_formula_units_Z   8
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  0.750  0.927  0.896  1.0
  K  K1  1  0.750  0.427  0.604  1.0
  K  K2  1  0.250  0.073  0.104  1.0
  K  K3  1  0.250  0.573  0.396  1.0
  K  K4  1  0.750  0.873  0.251  1.0
  K  K5  1  0.750  0.373  0.249  1.0
  K  K6  1  0.250  0.127  0.749  1.0
  K  K7  1  0.250  0.627  0.751  1.0
  Al  Al8  1  0.503  0.368  0.917  1.0
  Al  Al9  1  0.997  0.868  0.583  1.0
  Al  Al10  1  0.003  0.632  0.083  1.0
  Al  Al11  1  0.497  0.132  0.417  1.0
  Al  Al12  1  0.497  0.632  0.083  1.0
  Al  Al13  1  0.003  0.132  0.417  1.0
  Al  Al14  1  0.997  0.368  0.917  1.0
  Al  Al15  1  0.503  0.868  0.583  1.0
  F  F16  1  0.493  0.404  0.073  1.0
  F  F17  1  0.007  0.904  0.427  1.0
  F  F18  1  0.993  0.596  0.927  1.0
  F  F19  1  0.507  0.096  0.573  1.0
  F  F20  1  0.507  0.596  0.927  1.0
  F  F21  1  0.993  0.096  0.573  1.0
  F  F22  1  0.007  0.404  0.073  1.0
  F  F23  1  0.493  0.904  0.427  1.0
  F  F24  1  0.499  0.378  0.769  1.0
  F  F25  1  0.001  0.878  0.731  1.0
  F  F26  1  0.999  0.622  0.231  1.0
  F  F27  1  0.501  0.122  0.269  1.0
  F  F28  1  0.501  0.622  0.231  1.0
  F  F29  1  0.999  0.122  0.269  1.0
  F  F30  1  0.001  0.378  0.769  1.0
  F  F31  1  0.499  0.878  0.731  1.0
  F  F32  1  0.484  0.157  0.931  1.0
  F  F33  1  0.016  0.657  0.569  1.0
  F  F34  1  0.984  0.843  0.069  1.0
  F  F35  1  0.516  0.343  0.431  1.0
  F  F36  1  0.516  0.843  0.069  1.0
  F  F37  1  0.984  0.343  0.431  1.0
  F  F38  1  0.016  0.157  0.931  1.0
  F  F39  1  0.484  0.657  0.569  1.0
  F  F40  1  0.250  0.385  0.917  1.0
  F  F41  1  0.250  0.885  0.583  1.0
  F  F42  1  0.750  0.615  0.083  1.0
  F  F43  1  0.750  0.115  0.417  1.0
  F  F44  1  0.750  0.363  0.924  1.0
  F  F45  1  0.750  0.863  0.576  1.0
  F  F46  1  0.250  0.637  0.076  1.0
  F  F47  1  0.250  0.137  0.424  1.0
[/CIF]
.
The material described by KAlF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(3) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(3), two equivalent F(4), and four equivalent F(2) atoms. Al(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are five inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Al(1) atom. In the second F site, F(4) is bonded in a distorted linear geometry to two equivalent K(2) and two equivalent Al(1) atoms. In the third F site, F(5) is bonded in a linear geometry to two equivalent Al(1) atoms. In the fourth F site, F(1) is bonded in a distorted water-like geometry to one K(2) and two equivalent Al(1) atoms. In the fifth F site, F(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_KAlF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.237
_cell_length_b   8.194
_cell_length_c   11.765
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.601
_cell_formula_units_Z   8
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  0.750  0.927  0.896  1.0
  K  K1  1  0.750  0.427  0.604  1.0
  K  K2  1  0.250  0.073  0.104  1.0
  K  K3  1  0.250  0.573  0.396  1.0
  K  K4  1  0.750  0.873  0.251  1.0
  K  K5  1  0.750  0.373  0.249  1.0
  K  K6  1  0.250  0.127  0.749  1.0
  K  K7  1  0.250  0.627  0.751  1.0
  Al  Al8  1  0.503  0.368  0.917  1.0
  Al  Al9  1  0.997  0.868  0.583  1.0
  Al  Al10  1  0.003  0.632  0.083  1.0
  Al  Al11  1  0.497  0.132  0.417  1.0
  Al  Al12  1  0.497  0.632  0.083  1.0
  Al  Al13  1  0.003  0.132  0.417  1.0
  Al  Al14  1  0.997  0.368  0.917  1.0
  Al  Al15  1  0.503  0.868  0.583  1.0
  F  F16  1  0.493  0.404  0.073  1.0
  F  F17  1  0.007  0.904  0.427  1.0
  F  F18  1  0.993  0.596  0.927  1.0
  F  F19  1  0.507  0.096  0.573  1.0
  F  F20  1  0.507  0.596  0.927  1.0
  F  F21  1  0.993  0.096  0.573  1.0
  F  F22  1  0.007  0.404  0.073  1.0
  F  F23  1  0.493  0.904  0.427  1.0
  F  F24  1  0.499  0.378  0.769  1.0
  F  F25  1  0.001  0.878  0.731  1.0
  F  F26  1  0.999  0.622  0.231  1.0
  F  F27  1  0.501  0.122  0.269  1.0
  F  F28  1  0.501  0.622  0.231  1.0
  F  F29  1  0.999  0.122  0.269  1.0
  F  F30  1  0.001  0.378  0.769  1.0
  F  F31  1  0.499  0.878  0.731  1.0
  F  F32  1  0.484  0.157  0.931  1.0
  F  F33  1  0.016  0.657  0.569  1.0
  F  F34  1  0.984  0.843  0.069  1.0
  F  F35  1  0.516  0.343  0.431  1.0
  F  F36  1  0.516  0.843  0.069  1.0
  F  F37  1  0.984  0.343  0.431  1.0
  F  F38  1  0.016  0.157  0.931  1.0
  F  F39  1  0.484  0.657  0.569  1.0
  F  F40  1  0.250  0.385  0.917  1.0
  F  F41  1  0.250  0.885  0.583  1.0
  F  F42  1  0.750  0.615  0.083  1.0
  F  F43  1  0.750  0.115  0.417  1.0
  F  F44  1  0.750  0.363  0.924  1.0
  F  F45  1  0.750  0.863  0.576  1.0
  F  F46  1  0.250  0.637  0.076  1.0
  F  F47  1  0.250  0.137  0.424  1.0
[/CIF]
.