The material structure described by K2Cr3(ClF3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to three equivalent Cl(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted square co-planar geometry to two equivalent Cl(1), one F(2), one F(3), and two equivalent F(1) atoms. In the second Cr site, Cr(2) is bonded in a distorted square co-planar geometry to two equivalent Cl(1), two equivalent F(2), and two equivalent F(3) atoms. Cl(1) is bonded to three equivalent K(1), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing ClK3Cr3 pentagonal pyramids. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1), one Cr(1), and one Cr(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_K2Cr3(ClF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.452
_cell_length_b   6.659
_cell_length_c   7.602
_cell_angle_alpha   57.261
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.655
_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  0.050  0.303  0.358  1.0
  K  K1  1  0.950  0.697  0.642  1.0
  K  K2  1  0.450  0.303  0.858  1.0
  K  K3  1  0.550  0.697  0.142  1.0
  Cr  Cr4  1  0.247  0.839  0.778  1.0
  Cr  Cr5  1  0.747  0.161  0.722  1.0
  Cr  Cr6  1  0.000  0.000  0.000  1.0
  Cr  Cr7  1  0.253  0.839  0.278  1.0
  Cr  Cr8  1  0.753  0.161  0.222  1.0
  Cr  Cr9  1  0.500  0.000  0.500  1.0
  Cl  Cl10  1  0.330  0.332  0.474  1.0
  Cl  Cl11  1  0.170  0.332  0.974  1.0
  Cl  Cl12  1  0.830  0.668  0.026  1.0
  Cl  Cl13  1  0.670  0.668  0.526  1.0
  F  F14  1  0.687  0.143  0.983  1.0
  F  F15  1  0.091  0.740  0.247  1.0
  F  F16  1  0.084  0.943  0.794  1.0
  F  F17  1  0.909  0.260  0.753  1.0
  F  F18  1  0.916  0.057  0.206  1.0
  F  F19  1  0.584  0.057  0.706  1.0
  F  F20  1  0.591  0.260  0.253  1.0
  F  F21  1  0.409  0.740  0.747  1.0
  F  F22  1  0.813  0.143  0.483  1.0
  F  F23  1  0.416  0.943  0.294  1.0
  F  F24  1  0.187  0.857  0.517  1.0
  F  F25  1  0.313  0.857  0.017  1.0
[/CIF]
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The material structure described by K2Cr3(ClF3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to three equivalent Cl(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted square co-planar geometry to two equivalent Cl(1), one F(2), one F(3), and two equivalent F(1) atoms. In the second Cr site, Cr(2) is bonded in a distorted square co-planar geometry to two equivalent Cl(1), two equivalent F(2), and two equivalent F(3) atoms. Cl(1) is bonded to three equivalent K(1), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing ClK3Cr3 pentagonal pyramids. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1), one Cr(1), and one Cr(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_K2Cr3(ClF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.452
_cell_length_b   6.659
_cell_length_c   7.602
_cell_angle_alpha   57.261
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.655
_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  0.050  0.303  0.358  1.0
  K  K1  1  0.950  0.697  0.642  1.0
  K  K2  1  0.450  0.303  0.858  1.0
  K  K3  1  0.550  0.697  0.142  1.0
  Cr  Cr4  1  0.247  0.839  0.778  1.0
  Cr  Cr5  1  0.747  0.161  0.722  1.0
  Cr  Cr6  1  0.000  0.000  0.000  1.0
  Cr  Cr7  1  0.253  0.839  0.278  1.0
  Cr  Cr8  1  0.753  0.161  0.222  1.0
  Cr  Cr9  1  0.500  0.000  0.500  1.0
  Cl  Cl10  1  0.330  0.332  0.474  1.0
  Cl  Cl11  1  0.170  0.332  0.974  1.0
  Cl  Cl12  1  0.830  0.668  0.026  1.0
  Cl  Cl13  1  0.670  0.668  0.526  1.0
  F  F14  1  0.687  0.143  0.983  1.0
  F  F15  1  0.091  0.740  0.247  1.0
  F  F16  1  0.084  0.943  0.794  1.0
  F  F17  1  0.909  0.260  0.753  1.0
  F  F18  1  0.916  0.057  0.206  1.0
  F  F19  1  0.584  0.057  0.706  1.0
  F  F20  1  0.591  0.260  0.253  1.0
  F  F21  1  0.409  0.740  0.747  1.0
  F  F22  1  0.813  0.143  0.483  1.0
  F  F23  1  0.416  0.943  0.294  1.0
  F  F24  1  0.187  0.857  0.517  1.0
  F  F25  1  0.313  0.857  0.017  1.0
[/CIF]
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