The material described by K2CrOF5 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. Cr(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 Cr(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Cr(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_K2CrOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.211
_cell_length_b   6.211
_cell_length_c   8.303
_cell_angle_alpha   85.447
_cell_angle_beta   85.447
_cell_angle_gamma   77.473
_symmetry_Int_Tables_number   1
_cell_volume   311.022
_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  0.304  0.299  0.022  1.0
  K  K1  1  0.701  0.696  0.478  1.0
  K  K2  1  0.696  0.701  0.978  1.0
  K  K3  1  0.299  0.304  0.522  1.0
  Cr  Cr4  1  0.821  0.179  0.250  1.0
  Cr  Cr5  1  0.179  0.821  0.750  1.0
  O  O6  1  0.027  0.973  0.250  1.0
  O  O7  1  0.973  0.027  0.750  1.0
  F  F8  1  0.852  0.269  0.031  1.0
  F  F9  1  0.731  0.148  0.469  1.0
  F  F10  1  0.148  0.731  0.969  1.0
  F  F11  1  0.269  0.852  0.531  1.0
  F  F12  1  0.564  0.436  0.250  1.0
  F  F13  1  0.436  0.564  0.750  1.0
  F  F14  1  0.611  0.016  0.204  1.0
  F  F15  1  0.984  0.389  0.296  1.0
  F  F16  1  0.389  0.984  0.796  1.0
  F  F17  1  0.016  0.611  0.704  1.0
[/CIF]
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The material described by K2CrOF5 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. Cr(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 Cr(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Cr(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_K2CrOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.211
_cell_length_b   6.211
_cell_length_c   8.303
_cell_angle_alpha   85.447
_cell_angle_beta   85.447
_cell_angle_gamma   77.473
_symmetry_Int_Tables_number   1
_cell_volume   311.022
_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  0.304  0.299  0.022  1.0
  K  K1  1  0.701  0.696  0.478  1.0
  K  K2  1  0.696  0.701  0.978  1.0
  K  K3  1  0.299  0.304  0.522  1.0
  Cr  Cr4  1  0.821  0.179  0.250  1.0
  Cr  Cr5  1  0.179  0.821  0.750  1.0
  O  O6  1  0.027  0.973  0.250  1.0
  O  O7  1  0.973  0.027  0.750  1.0
  F  F8  1  0.852  0.269  0.031  1.0
  F  F9  1  0.731  0.148  0.469  1.0
  F  F10  1  0.148  0.731  0.969  1.0
  F  F11  1  0.269  0.852  0.531  1.0
  F  F12  1  0.564  0.436  0.250  1.0
  F  F13  1  0.436  0.564  0.750  1.0
  F  F14  1  0.611  0.016  0.204  1.0
  F  F15  1  0.984  0.389  0.296  1.0
  F  F16  1  0.389  0.984  0.796  1.0
  F  F17  1  0.016  0.611  0.704  1.0
[/CIF]
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