The crystal structure described by K3Al3OF12 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one F(4), one F(5), and four equivalent F(2) atoms. In the second K site, K(2) is bonded in a 11-coordinate geometry to one O(1), two equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. In the second Al site, Al(2) is bonded to one F(4), one F(5), and four equivalent F(1) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 34°. O(1) is bonded in a single-bond geometry to one K(2) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Al(2) atom. In the second F site, F(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Al(2) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one K(2), one Al(1), and one Al(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Al(1) atom. In the fifth F site, F(3) is bonded in a bent 150 degrees geometry to one K(2) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_K3Al3OF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   7.173
_cell_length_c   12.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.878
_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  0.479  0.000  0.326  1.0
  K  K1  1  0.479  0.000  0.674  1.0
  K  K2  1  0.521  0.500  0.174  1.0
  K  K3  1  0.521  0.500  0.826  1.0
  K  K4  1  0.829  0.000  0.000  1.0
  K  K5  1  0.171  0.500  0.500  1.0
  Al  Al6  1  0.000  0.750  0.750  1.0
  Al  Al7  1  0.000  0.250  0.750  1.0
  Al  Al8  1  0.000  0.750  0.250  1.0
  Al  Al9  1  0.000  0.250  0.250  1.0
  Al  Al10  1  0.953  0.000  0.500  1.0
  Al  Al11  1  0.047  0.500  0.000  1.0
  O  O12  1  0.389  0.000  0.000  1.0
  O  O13  1  0.611  0.500  0.500  1.0
  F  F14  1  0.950  0.813  0.606  1.0
  F  F15  1  0.950  0.187  0.606  1.0
  F  F16  1  0.950  0.813  0.394  1.0
  F  F17  1  0.950  0.187  0.394  1.0
  F  F18  1  0.050  0.687  0.894  1.0
  F  F19  1  0.050  0.313  0.894  1.0
  F  F20  1  0.050  0.687  0.106  1.0
  F  F21  1  0.050  0.313  0.106  1.0
  F  F22  1  0.747  0.789  0.785  1.0
  F  F23  1  0.747  0.211  0.785  1.0
  F  F24  1  0.747  0.789  0.215  1.0
  F  F25  1  0.747  0.211  0.215  1.0
  F  F26  1  0.253  0.711  0.715  1.0
  F  F27  1  0.253  0.289  0.715  1.0
  F  F28  1  0.253  0.711  0.285  1.0
  F  F29  1  0.253  0.289  0.285  1.0
  F  F30  1  0.942  0.500  0.715  1.0
  F  F31  1  0.942  0.500  0.285  1.0
  F  F32  1  0.058  0.000  0.785  1.0
  F  F33  1  0.058  0.000  0.215  1.0
  F  F34  1  0.692  0.000  0.500  1.0
  F  F35  1  0.308  0.500  0.000  1.0
  F  F36  1  0.216  0.000  0.500  1.0
  F  F37  1  0.784  0.500  0.000  1.0
[/CIF]
.
The crystal structure described by K3Al3OF12 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one F(4), one F(5), and four equivalent F(2) atoms. In the second K site, K(2) is bonded in a 11-coordinate geometry to one O(1), two equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. In the second Al site, Al(2) is bonded to one F(4), one F(5), and four equivalent F(1) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 34°. O(1) is bonded in a single-bond geometry to one K(2) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Al(2) atom. In the second F site, F(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Al(2) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one K(2), one Al(1), and one Al(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Al(1) atom. In the fifth F site, F(3) is bonded in a bent 150 degrees geometry to one K(2) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_K3Al3OF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   7.173
_cell_length_c   12.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.878
_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  0.479  0.000  0.326  1.0
  K  K1  1  0.479  0.000  0.674  1.0
  K  K2  1  0.521  0.500  0.174  1.0
  K  K3  1  0.521  0.500  0.826  1.0
  K  K4  1  0.829  0.000  0.000  1.0
  K  K5  1  0.171  0.500  0.500  1.0
  Al  Al6  1  0.000  0.750  0.750  1.0
  Al  Al7  1  0.000  0.250  0.750  1.0
  Al  Al8  1  0.000  0.750  0.250  1.0
  Al  Al9  1  0.000  0.250  0.250  1.0
  Al  Al10  1  0.953  0.000  0.500  1.0
  Al  Al11  1  0.047  0.500  0.000  1.0
  O  O12  1  0.389  0.000  0.000  1.0
  O  O13  1  0.611  0.500  0.500  1.0
  F  F14  1  0.950  0.813  0.606  1.0
  F  F15  1  0.950  0.187  0.606  1.0
  F  F16  1  0.950  0.813  0.394  1.0
  F  F17  1  0.950  0.187  0.394  1.0
  F  F18  1  0.050  0.687  0.894  1.0
  F  F19  1  0.050  0.313  0.894  1.0
  F  F20  1  0.050  0.687  0.106  1.0
  F  F21  1  0.050  0.313  0.106  1.0
  F  F22  1  0.747  0.789  0.785  1.0
  F  F23  1  0.747  0.211  0.785  1.0
  F  F24  1  0.747  0.789  0.215  1.0
  F  F25  1  0.747  0.211  0.215  1.0
  F  F26  1  0.253  0.711  0.715  1.0
  F  F27  1  0.253  0.289  0.715  1.0
  F  F28  1  0.253  0.711  0.285  1.0
  F  F29  1  0.253  0.289  0.285  1.0
  F  F30  1  0.942  0.500  0.715  1.0
  F  F31  1  0.942  0.500  0.285  1.0
  F  F32  1  0.058  0.000  0.785  1.0
  F  F33  1  0.058  0.000  0.215  1.0
  F  F34  1  0.692  0.000  0.500  1.0
  F  F35  1  0.308  0.500  0.000  1.0
  F  F36  1  0.216  0.000  0.500  1.0
  F  F37  1  0.784  0.500  0.000  1.0
[/CIF]
.