The crystal structure described by RbCuAlF6 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 10-coordinate geometry to one F(2), one F(4), four equivalent F(1), and four equivalent F(3) atoms. Cu(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1) and two equivalent Cu(1) atoms. In the second F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one Al(1) atom. In the third F site, F(2) is bonded in a bent 150 degrees geometry to one Rb(1) and two equivalent Al(1) atoms. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_RbAlCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.862
_cell_length_b   7.194
_cell_length_c   10.219
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.473
_cell_formula_units_Z   4
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  0.013  0.250  0.629  1.0
  Rb  Rb1  1  0.987  0.750  0.371  1.0
  Rb  Rb2  1  0.487  0.750  0.129  1.0
  Rb  Rb3  1  0.513  0.250  0.871  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.500  0.000  0.500  1.0
  Al  Al6  1  0.000  0.500  0.000  1.0
  Al  Al7  1  0.500  0.500  0.500  1.0
  Cu  Cu8  1  0.211  0.250  0.256  1.0
  Cu  Cu9  1  0.789  0.750  0.744  1.0
  Cu  Cu10  1  0.289  0.750  0.756  1.0
  Cu  Cu11  1  0.711  0.250  0.244  1.0
  F  F12  1  0.282  0.050  0.407  1.0
  F  F13  1  0.718  0.950  0.593  1.0
  F  F14  1  0.218  0.950  0.907  1.0
  F  F15  1  0.718  0.550  0.593  1.0
  F  F16  1  0.782  0.050  0.093  1.0
  F  F17  1  0.282  0.450  0.407  1.0
  F  F18  1  0.782  0.450  0.093  1.0
  F  F19  1  0.218  0.550  0.907  1.0
  F  F20  1  0.548  0.250  0.525  1.0
  F  F21  1  0.452  0.750  0.475  1.0
  F  F22  1  0.952  0.750  0.025  1.0
  F  F23  1  0.048  0.250  0.975  1.0
  F  F24  1  0.145  0.496  0.149  1.0
  F  F25  1  0.855  0.504  0.851  1.0
  F  F26  1  0.355  0.504  0.649  1.0
  F  F27  1  0.855  0.996  0.851  1.0
  F  F28  1  0.645  0.496  0.351  1.0
  F  F29  1  0.145  0.004  0.149  1.0
  F  F30  1  0.645  0.004  0.351  1.0
  F  F31  1  0.355  0.996  0.649  1.0
  F  F32  1  0.456  0.250  0.169  1.0
  F  F33  1  0.544  0.750  0.831  1.0
  F  F34  1  0.044  0.750  0.669  1.0
  F  F35  1  0.956  0.250  0.331  1.0
[/CIF]
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The crystal structure described by RbCuAlF6 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 10-coordinate geometry to one F(2), one F(4), four equivalent F(1), and four equivalent F(3) atoms. Cu(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1) and two equivalent Cu(1) atoms. In the second F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one Al(1) atom. In the third F site, F(2) is bonded in a bent 150 degrees geometry to one Rb(1) and two equivalent Al(1) atoms. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_RbAlCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.862
_cell_length_b   7.194
_cell_length_c   10.219
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.473
_cell_formula_units_Z   4
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  0.013  0.250  0.629  1.0
  Rb  Rb1  1  0.987  0.750  0.371  1.0
  Rb  Rb2  1  0.487  0.750  0.129  1.0
  Rb  Rb3  1  0.513  0.250  0.871  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.500  0.000  0.500  1.0
  Al  Al6  1  0.000  0.500  0.000  1.0
  Al  Al7  1  0.500  0.500  0.500  1.0
  Cu  Cu8  1  0.211  0.250  0.256  1.0
  Cu  Cu9  1  0.789  0.750  0.744  1.0
  Cu  Cu10  1  0.289  0.750  0.756  1.0
  Cu  Cu11  1  0.711  0.250  0.244  1.0
  F  F12  1  0.282  0.050  0.407  1.0
  F  F13  1  0.718  0.950  0.593  1.0
  F  F14  1  0.218  0.950  0.907  1.0
  F  F15  1  0.718  0.550  0.593  1.0
  F  F16  1  0.782  0.050  0.093  1.0
  F  F17  1  0.282  0.450  0.407  1.0
  F  F18  1  0.782  0.450  0.093  1.0
  F  F19  1  0.218  0.550  0.907  1.0
  F  F20  1  0.548  0.250  0.525  1.0
  F  F21  1  0.452  0.750  0.475  1.0
  F  F22  1  0.952  0.750  0.025  1.0
  F  F23  1  0.048  0.250  0.975  1.0
  F  F24  1  0.145  0.496  0.149  1.0
  F  F25  1  0.855  0.504  0.851  1.0
  F  F26  1  0.355  0.504  0.649  1.0
  F  F27  1  0.855  0.996  0.851  1.0
  F  F28  1  0.645  0.496  0.351  1.0
  F  F29  1  0.145  0.004  0.149  1.0
  F  F30  1  0.645  0.004  0.351  1.0
  F  F31  1  0.355  0.996  0.649  1.0
  F  F32  1  0.456  0.250  0.169  1.0
  F  F33  1  0.544  0.750  0.831  1.0
  F  F34  1  0.044  0.750  0.669  1.0
  F  F35  1  0.956  0.250  0.331  1.0
[/CIF]
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