The crystal structure described by K2Al2O3F2 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent F(1) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and four equivalent F(1) atoms. Al(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form corner-sharing AlO3F tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2) and two equivalent Al(1) atoms. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_K2Al2O3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   7.041
_cell_length_c   6.187
_cell_angle_alpha   88.978
_cell_angle_beta   88.978
_cell_angle_gamma   72.086
_symmetry_Int_Tables_number   1
_cell_volume   291.806
_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  0.842  0.842  0.670  1.0
  K  K1  1  0.602  0.602  0.256  1.0
  K  K2  1  0.398  0.398  0.744  1.0
  K  K3  1  0.158  0.158  0.330  1.0
  Al  Al4  1  0.924  0.326  0.855  1.0
  Al  Al5  1  0.674  0.076  0.145  1.0
  Al  Al6  1  0.326  0.924  0.855  1.0
  Al  Al7  1  0.076  0.674  0.145  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.878  0.878  0.233  1.0
  O  O10  1  0.738  0.262  0.000  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.262  0.738  0.000  1.0
  O  O13  1  0.122  0.122  0.767  1.0
  F  F14  1  0.816  0.446  0.614  1.0
  F  F15  1  0.554  0.184  0.386  1.0
  F  F16  1  0.446  0.816  0.614  1.0
  F  F17  1  0.184  0.554  0.386  1.0
[/CIF]
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The crystal structure described by K2Al2O3F2 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent F(1) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and four equivalent F(1) atoms. Al(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form corner-sharing AlO3F tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2) and two equivalent Al(1) atoms. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_K2Al2O3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   7.041
_cell_length_c   6.187
_cell_angle_alpha   88.978
_cell_angle_beta   88.978
_cell_angle_gamma   72.086
_symmetry_Int_Tables_number   1
_cell_volume   291.806
_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  0.842  0.842  0.670  1.0
  K  K1  1  0.602  0.602  0.256  1.0
  K  K2  1  0.398  0.398  0.744  1.0
  K  K3  1  0.158  0.158  0.330  1.0
  Al  Al4  1  0.924  0.326  0.855  1.0
  Al  Al5  1  0.674  0.076  0.145  1.0
  Al  Al6  1  0.326  0.924  0.855  1.0
  Al  Al7  1  0.076  0.674  0.145  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.878  0.878  0.233  1.0
  O  O10  1  0.738  0.262  0.000  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.262  0.738  0.000  1.0
  O  O13  1  0.122  0.122  0.767  1.0
  F  F14  1  0.816  0.446  0.614  1.0
  F  F15  1  0.554  0.184  0.386  1.0
  F  F16  1  0.446  0.816  0.614  1.0
  F  F17  1  0.184  0.554  0.386  1.0
[/CIF]
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