The crystal structure described by K2AlOF5 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 11-coordinate geometry to two equivalent O(1), one F(3), four equivalent F(1), and four equivalent F(2) atoms. 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 are 16°. O(1) is bonded in a rectangular see-saw-like geometry to four equivalent K(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Al(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to four equivalent K(1) and one Al(1) atom. In the third F site, F(3) is bonded in a distorted linear geometry to two equivalent K(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2AlOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.168
_cell_length_b   6.168
_cell_length_c   7.526
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.750
_symmetry_Int_Tables_number   1
_cell_volume   281.267
_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  0.039  0.502  0.250  1.0
  K  K1  1  0.498  0.961  0.750  1.0
  K  K2  1  0.961  0.498  0.750  1.0
  K  K3  1  0.502  0.039  0.250  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.544  0.544  0.250  1.0
  O  O7  1  0.456  0.456  0.750  1.0
  F  F8  1  0.809  0.191  0.500  1.0
  F  F9  1  0.809  0.191  0.000  1.0
  F  F10  1  0.191  0.809  0.500  1.0
  F  F11  1  0.191  0.809  0.000  1.0
  F  F12  1  0.229  0.229  0.525  1.0
  F  F13  1  0.771  0.771  0.475  1.0
  F  F14  1  0.229  0.229  0.975  1.0
  F  F15  1  0.771  0.771  0.025  1.0
  F  F16  1  0.034  0.034  0.250  1.0
  F  F17  1  0.966  0.966  0.750  1.0
[/CIF]
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The crystal structure described by K2AlOF5 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 11-coordinate geometry to two equivalent O(1), one F(3), four equivalent F(1), and four equivalent F(2) atoms. 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 are 16°. O(1) is bonded in a rectangular see-saw-like geometry to four equivalent K(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Al(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to four equivalent K(1) and one Al(1) atom. In the third F site, F(3) is bonded in a distorted linear geometry to two equivalent K(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2AlOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.168
_cell_length_b   6.168
_cell_length_c   7.526
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.750
_symmetry_Int_Tables_number   1
_cell_volume   281.267
_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  0.039  0.502  0.250  1.0
  K  K1  1  0.498  0.961  0.750  1.0
  K  K2  1  0.961  0.498  0.750  1.0
  K  K3  1  0.502  0.039  0.250  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.544  0.544  0.250  1.0
  O  O7  1  0.456  0.456  0.750  1.0
  F  F8  1  0.809  0.191  0.500  1.0
  F  F9  1  0.809  0.191  0.000  1.0
  F  F10  1  0.191  0.809  0.500  1.0
  F  F11  1  0.191  0.809  0.000  1.0
  F  F12  1  0.229  0.229  0.525  1.0
  F  F13  1  0.771  0.771  0.475  1.0
  F  F14  1  0.229  0.229  0.975  1.0
  F  F15  1  0.771  0.771  0.025  1.0
  F  F16  1  0.034  0.034  0.250  1.0
  F  F17  1  0.966  0.966  0.750  1.0
[/CIF]
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