The material described by RbCrCuF6 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 Cr(1)F6 octahedra and corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-70°. Cr(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CrF6 octahedra that share corners with two equivalent Cr(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 39-70°. 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 Cr(1)F6 octahedra, and corners with six equivalent Rb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-68°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Rb(1) and two equivalent Cr(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 3-coordinate geometry to one Rb(1), one Cr(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCrCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.391
_cell_length_b   7.391
_cell_length_c   7.391
_cell_angle_alpha   121.934
_cell_angle_beta   119.738
_cell_angle_gamma   88.569
_symmetry_Int_Tables_number   1
_cell_volume   281.650
_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  0.370  0.620  0.750  1.0
  Rb  Rb1  1  0.630  0.380  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.312  0.062  0.250  1.0
  F  F7  1  0.931  0.681  0.250  1.0
  F  F8  1  0.334  0.683  0.260  1.0
  F  F9  1  0.923  0.074  0.240  1.0
  F  F10  1  0.334  0.074  0.651  1.0
  F  F11  1  0.923  0.683  0.849  1.0
  F  F12  1  0.688  0.938  0.750  1.0
  F  F13  1  0.069  0.319  0.750  1.0
  F  F14  1  0.666  0.317  0.740  1.0
  F  F15  1  0.077  0.926  0.760  1.0
  F  F16  1  0.666  0.926  0.349  1.0
  F  F17  1  0.077  0.317  0.151  1.0
[/CIF]
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The material described by RbCrCuF6 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 Cr(1)F6 octahedra and corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-70°. Cr(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CrF6 octahedra that share corners with two equivalent Cr(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 39-70°. 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 Cr(1)F6 octahedra, and corners with six equivalent Rb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-68°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Rb(1) and two equivalent Cr(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 3-coordinate geometry to one Rb(1), one Cr(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCrCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.391
_cell_length_b   7.391
_cell_length_c   7.391
_cell_angle_alpha   121.934
_cell_angle_beta   119.738
_cell_angle_gamma   88.569
_symmetry_Int_Tables_number   1
_cell_volume   281.650
_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  0.370  0.620  0.750  1.0
  Rb  Rb1  1  0.630  0.380  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.312  0.062  0.250  1.0
  F  F7  1  0.931  0.681  0.250  1.0
  F  F8  1  0.334  0.683  0.260  1.0
  F  F9  1  0.923  0.074  0.240  1.0
  F  F10  1  0.334  0.074  0.651  1.0
  F  F11  1  0.923  0.683  0.849  1.0
  F  F12  1  0.688  0.938  0.750  1.0
  F  F13  1  0.069  0.319  0.750  1.0
  F  F14  1  0.666  0.317  0.740  1.0
  F  F15  1  0.077  0.926  0.760  1.0
  F  F16  1  0.666  0.926  0.349  1.0
  F  F17  1  0.077  0.317  0.151  1.0
[/CIF]
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