The crystal structure described by RbCoCuF6 crystallizes in the orthorhombic Imma space group. Rb(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form RbF6 octahedra that share corners with six equivalent Co(1)F6 octahedra and corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-68°. Co(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and corners with six equivalent Rb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-68°. Cu(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and corners with six equivalent Rb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-68°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Rb(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Rb(1), one Co(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_RbCoCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.306
_cell_length_b   7.306
_cell_length_c   7.306
_cell_angle_alpha   120.605
_cell_angle_beta   119.510
_cell_angle_gamma   89.904
_symmetry_Int_Tables_number   1
_cell_volume   275.459
_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
  Rb  Rb0  1  0.873  0.623  0.250  1.0
  Rb  Rb1  1  0.127  0.377  0.750  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  F  F6  1  0.821  0.071  0.750  1.0
  F  F7  1  0.427  0.677  0.750  1.0
  F  F8  1  0.830  0.681  0.757  1.0
  F  F9  1  0.424  0.074  0.743  1.0
  F  F10  1  0.830  0.074  0.149  1.0
  F  F11  1  0.424  0.681  0.351  1.0
  F  F12  1  0.179  0.929  0.250  1.0
  F  F13  1  0.573  0.323  0.250  1.0
  F  F14  1  0.170  0.319  0.243  1.0
  F  F15  1  0.576  0.926  0.257  1.0
  F  F16  1  0.170  0.926  0.851  1.0
  F  F17  1  0.576  0.319  0.649  1.0
[/CIF]
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The crystal structure described by RbCoCuF6 crystallizes in the orthorhombic Imma space group. Rb(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form RbF6 octahedra that share corners with six equivalent Co(1)F6 octahedra and corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-68°. Co(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and corners with six equivalent Rb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-68°. Cu(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and corners with six equivalent Rb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-68°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Rb(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Rb(1), one Co(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_RbCoCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.306
_cell_length_b   7.306
_cell_length_c   7.306
_cell_angle_alpha   120.605
_cell_angle_beta   119.510
_cell_angle_gamma   89.904
_symmetry_Int_Tables_number   1
_cell_volume   275.459
_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
  Rb  Rb0  1  0.873  0.623  0.250  1.0
  Rb  Rb1  1  0.127  0.377  0.750  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  F  F6  1  0.821  0.071  0.750  1.0
  F  F7  1  0.427  0.677  0.750  1.0
  F  F8  1  0.830  0.681  0.757  1.0
  F  F9  1  0.424  0.074  0.743  1.0
  F  F10  1  0.830  0.074  0.149  1.0
  F  F11  1  0.424  0.681  0.351  1.0
  F  F12  1  0.179  0.929  0.250  1.0
  F  F13  1  0.573  0.323  0.250  1.0
  F  F14  1  0.170  0.319  0.243  1.0
  F  F15  1  0.576  0.926  0.257  1.0
  F  F16  1  0.170  0.926  0.851  1.0
  F  F17  1  0.576  0.319  0.649  1.0
[/CIF]
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