The material structure described by Rb2Cu(ClF)2 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a distorted single-bond geometry to four equivalent Cl(1) and one F(1) atom. Cu(1) is bonded to four equivalent Cl(1) and two equivalent F(1) atoms to form distorted corner-sharing CuCl4F2 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent Rb(1) and two equivalent Cu(1) atoms to form a mixture of edge, corner, and face-sharing ClRb4Cu2 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Rb(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Rb2Cu(ClF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.100
_cell_length_c   7.575
_cell_angle_alpha   109.678
_cell_angle_beta   109.678
_cell_angle_gamma   89.986
_symmetry_Int_Tables_number   1
_cell_volume   173.251
_cell_formula_units_Z   1
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
  Rb  Rb0  1  0.654  0.654  0.307  1.0
  Rb  Rb1  1  0.346  0.346  0.693  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.500  0.000  0.000  1.0
  Cl  Cl4  1  0.000  0.500  0.000  1.0
  F  F5  1  0.857  0.857  0.713  1.0
  F  F6  1  0.143  0.143  0.287  1.0
[/CIF]
.
The material structure described by Rb2Cu(ClF)2 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a distorted single-bond geometry to four equivalent Cl(1) and one F(1) atom. Cu(1) is bonded to four equivalent Cl(1) and two equivalent F(1) atoms to form distorted corner-sharing CuCl4F2 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent Rb(1) and two equivalent Cu(1) atoms to form a mixture of edge, corner, and face-sharing ClRb4Cu2 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Rb(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Rb2Cu(ClF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.100
_cell_length_c   7.575
_cell_angle_alpha   109.678
_cell_angle_beta   109.678
_cell_angle_gamma   89.986
_symmetry_Int_Tables_number   1
_cell_volume   173.251
_cell_formula_units_Z   1
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
  Rb  Rb0  1  0.654  0.654  0.307  1.0
  Rb  Rb1  1  0.346  0.346  0.693  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.500  0.000  0.000  1.0
  Cl  Cl4  1  0.000  0.500  0.000  1.0
  F  F5  1  0.857  0.857  0.713  1.0
  F  F6  1  0.143  0.143  0.287  1.0
[/CIF]
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