The crystal structure described by K2GaOF5 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent F(2), two equivalent F(3), and three equivalent F(1) atoms. Ga(1) is bonded in an octahedral geometry to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms. O(1) is bonded in a single-bond geometry to one Ga(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Ga(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ga(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_K2GaOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.299
_cell_length_b   6.299
_cell_length_c   8.059
_cell_angle_alpha   86.461
_cell_angle_beta   86.461
_cell_angle_gamma   75.604
_symmetry_Int_Tables_number   1
_cell_volume   308.812
_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  0.193  0.204  0.967  1.0
  K  K1  1  0.807  0.796  0.033  1.0
  K  K2  1  0.796  0.807  0.533  1.0
  K  K3  1  0.204  0.193  0.467  1.0
  Ga  Ga4  1  0.295  0.705  0.750  1.0
  Ga  Ga5  1  0.705  0.295  0.250  1.0
  O  O6  1  0.569  0.431  0.750  1.0
  O  O7  1  0.431  0.569  0.250  1.0
  F  F8  1  0.497  0.865  0.811  1.0
  F  F9  1  0.503  0.135  0.189  1.0
  F  F10  1  0.135  0.503  0.689  1.0
  F  F11  1  0.865  0.497  0.311  1.0
  F  F12  1  0.050  0.950  0.750  1.0
  F  F13  1  0.950  0.050  0.250  1.0
  F  F14  1  0.380  0.760  0.523  1.0
  F  F15  1  0.620  0.240  0.477  1.0
  F  F16  1  0.240  0.620  0.977  1.0
  F  F17  1  0.760  0.380  0.023  1.0
[/CIF]
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The crystal structure described by K2GaOF5 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent F(2), two equivalent F(3), and three equivalent F(1) atoms. Ga(1) is bonded in an octahedral geometry to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms. O(1) is bonded in a single-bond geometry to one Ga(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Ga(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ga(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_K2GaOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.299
_cell_length_b   6.299
_cell_length_c   8.059
_cell_angle_alpha   86.461
_cell_angle_beta   86.461
_cell_angle_gamma   75.604
_symmetry_Int_Tables_number   1
_cell_volume   308.812
_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  0.193  0.204  0.967  1.0
  K  K1  1  0.807  0.796  0.033  1.0
  K  K2  1  0.796  0.807  0.533  1.0
  K  K3  1  0.204  0.193  0.467  1.0
  Ga  Ga4  1  0.295  0.705  0.750  1.0
  Ga  Ga5  1  0.705  0.295  0.250  1.0
  O  O6  1  0.569  0.431  0.750  1.0
  O  O7  1  0.431  0.569  0.250  1.0
  F  F8  1  0.497  0.865  0.811  1.0
  F  F9  1  0.503  0.135  0.189  1.0
  F  F10  1  0.135  0.503  0.689  1.0
  F  F11  1  0.865  0.497  0.311  1.0
  F  F12  1  0.050  0.950  0.750  1.0
  F  F13  1  0.950  0.050  0.250  1.0
  F  F14  1  0.380  0.760  0.523  1.0
  F  F15  1  0.620  0.240  0.477  1.0
  F  F16  1  0.240  0.620  0.977  1.0
  F  F17  1  0.760  0.380  0.023  1.0
[/CIF]
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