The material described by (K4Sn4OF12)2O2 crystallizes in the tetragonal I4/m space group. The structure consists of two water atoms inside a K4Sn4OF12 framework. In the K4Sn4OF12 framework, K(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(3), and two equivalent F(2) atoms. O(2) is bonded in a square co-planar 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 trigonal planar geometry to two equivalent K(1) and one Sn(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Sn(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Sn2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.203
_cell_length_b   10.203
_cell_length_c   10.203
_cell_angle_alpha   92.442
_cell_angle_beta   92.442
_cell_angle_gamma   156.177
_symmetry_Int_Tables_number   1
_cell_volume   419.750
_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  0.352  0.639  0.991  1.0
  K  K1  1  0.648  0.361  0.009  1.0
  K  K2  1  0.361  0.352  0.714  1.0
  K  K3  1  0.639  0.648  0.286  1.0
  Sn  Sn4  1  0.978  0.337  0.315  1.0
  Sn  Sn5  1  0.022  0.663  0.685  1.0
  Sn  Sn6  1  0.663  0.978  0.640  1.0
  Sn  Sn7  1  0.337  0.022  0.360  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  F  F10  1  0.795  0.038  0.832  1.0
  F  F11  1  0.205  0.962  0.168  1.0
  F  F12  1  0.962  0.795  0.757  1.0
  F  F13  1  0.038  0.205  0.243  1.0
  F  F14  1  0.472  0.793  0.265  1.0
  F  F15  1  0.528  0.207  0.735  1.0
  F  F16  1  0.207  0.472  0.679  1.0
  F  F17  1  0.793  0.528  0.321  1.0
  F  F18  1  0.843  0.283  0.126  1.0
  F  F19  1  0.157  0.717  0.874  1.0
  F  F20  1  0.717  0.843  0.560  1.0
  F  F21  1  0.283  0.157  0.440  1.0
[/CIF]
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The material described by (K4Sn4OF12)2O2 crystallizes in the tetragonal I4/m space group. The structure consists of two water atoms inside a K4Sn4OF12 framework. In the K4Sn4OF12 framework, K(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(3), and two equivalent F(2) atoms. O(2) is bonded in a square co-planar 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 trigonal planar geometry to two equivalent K(1) and one Sn(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Sn(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Sn2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.203
_cell_length_b   10.203
_cell_length_c   10.203
_cell_angle_alpha   92.442
_cell_angle_beta   92.442
_cell_angle_gamma   156.177
_symmetry_Int_Tables_number   1
_cell_volume   419.750
_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  0.352  0.639  0.991  1.0
  K  K1  1  0.648  0.361  0.009  1.0
  K  K2  1  0.361  0.352  0.714  1.0
  K  K3  1  0.639  0.648  0.286  1.0
  Sn  Sn4  1  0.978  0.337  0.315  1.0
  Sn  Sn5  1  0.022  0.663  0.685  1.0
  Sn  Sn6  1  0.663  0.978  0.640  1.0
  Sn  Sn7  1  0.337  0.022  0.360  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  F  F10  1  0.795  0.038  0.832  1.0
  F  F11  1  0.205  0.962  0.168  1.0
  F  F12  1  0.962  0.795  0.757  1.0
  F  F13  1  0.038  0.205  0.243  1.0
  F  F14  1  0.472  0.793  0.265  1.0
  F  F15  1  0.528  0.207  0.735  1.0
  F  F16  1  0.207  0.472  0.679  1.0
  F  F17  1  0.793  0.528  0.321  1.0
  F  F18  1  0.843  0.283  0.126  1.0
  F  F19  1  0.157  0.717  0.874  1.0
  F  F20  1  0.717  0.843  0.560  1.0
  F  F21  1  0.283  0.157  0.440  1.0
[/CIF]
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