The material described by KAs(OF2)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. As(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one As(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one K(1) and one As(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one K(1) and one As(1) atom. is represented by the CIF card [CIF]
data_KAs(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.133
_cell_length_b   8.133
_cell_length_c   6.654
_cell_angle_alpha   89.002
_cell_angle_beta   89.002
_cell_angle_gamma   142.074
_symmetry_Int_Tables_number   1
_cell_volume   270.151
_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  0.617  0.383  0.750  1.0
  K  K1  1  0.383  0.617  0.250  1.0
  As  As2  1  0.872  0.128  0.750  1.0
  As  As3  1  0.128  0.872  0.250  1.0
  O  O4  1  0.816  0.068  0.486  1.0
  O  O5  1  0.932  0.184  0.014  1.0
  O  O6  1  0.184  0.932  0.514  1.0
  O  O7  1  0.068  0.816  0.986  1.0
  F  F8  1  0.197  0.287  0.727  1.0
  F  F9  1  0.713  0.803  0.773  1.0
  F  F10  1  0.803  0.713  0.273  1.0
  F  F11  1  0.287  0.197  0.227  1.0
  F  F12  1  0.018  0.440  0.685  1.0
  F  F13  1  0.560  0.982  0.815  1.0
  F  F14  1  0.982  0.560  0.315  1.0
  F  F15  1  0.440  0.018  0.185  1.0
[/CIF]
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The material described by KAs(OF2)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. As(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one As(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one K(1) and one As(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one K(1) and one As(1) atom. is represented by the CIF card [CIF]
data_KAs(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.133
_cell_length_b   8.133
_cell_length_c   6.654
_cell_angle_alpha   89.002
_cell_angle_beta   89.002
_cell_angle_gamma   142.074
_symmetry_Int_Tables_number   1
_cell_volume   270.151
_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  0.617  0.383  0.750  1.0
  K  K1  1  0.383  0.617  0.250  1.0
  As  As2  1  0.872  0.128  0.750  1.0
  As  As3  1  0.128  0.872  0.250  1.0
  O  O4  1  0.816  0.068  0.486  1.0
  O  O5  1  0.932  0.184  0.014  1.0
  O  O6  1  0.184  0.932  0.514  1.0
  O  O7  1  0.068  0.816  0.986  1.0
  F  F8  1  0.197  0.287  0.727  1.0
  F  F9  1  0.713  0.803  0.773  1.0
  F  F10  1  0.803  0.713  0.273  1.0
  F  F11  1  0.287  0.197  0.227  1.0
  F  F12  1  0.018  0.440  0.685  1.0
  F  F13  1  0.560  0.982  0.815  1.0
  F  F14  1  0.982  0.560  0.315  1.0
  F  F15  1  0.440  0.018  0.185  1.0
[/CIF]
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