The crystal structure described by Rb2AlOF5 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 5°. O(1) is bonded in a distorted square co-planar geometry to four equivalent Rb(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Al(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to four equivalent Rb(1) and one Al(1) atom. In the third F site, F(3) is bonded in a linear geometry to four equivalent Rb(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Rb2AlOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   6.395
_cell_length_c   7.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.490
_symmetry_Int_Tables_number   1
_cell_volume   307.976
_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  0.501  0.956  0.250  1.0
  Rb  Rb1  1  0.044  0.499  0.750  1.0
  Rb  Rb2  1  0.499  0.044  0.750  1.0
  Rb  Rb3  1  0.956  0.501  0.250  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.430  0.430  0.250  1.0
  O  O7  1  0.570  0.570  0.750  1.0
  F  F8  1  0.184  0.816  0.500  1.0
  F  F9  1  0.184  0.816  0.000  1.0
  F  F10  1  0.816  0.184  0.500  1.0
  F  F11  1  0.816  0.184  0.000  1.0
  F  F12  1  0.219  0.219  0.492  1.0
  F  F13  1  0.781  0.781  0.508  1.0
  F  F14  1  0.219  0.219  0.008  1.0
  F  F15  1  0.781  0.781  0.992  1.0
  F  F16  1  0.989  0.989  0.250  1.0
  F  F17  1  0.011  0.011  0.750  1.0
[/CIF]
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The crystal structure described by Rb2AlOF5 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 5°. O(1) is bonded in a distorted square co-planar geometry to four equivalent Rb(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one Al(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to four equivalent Rb(1) and one Al(1) atom. In the third F site, F(3) is bonded in a linear geometry to four equivalent Rb(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Rb2AlOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   6.395
_cell_length_c   7.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.490
_symmetry_Int_Tables_number   1
_cell_volume   307.976
_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  0.501  0.956  0.250  1.0
  Rb  Rb1  1  0.044  0.499  0.750  1.0
  Rb  Rb2  1  0.499  0.044  0.750  1.0
  Rb  Rb3  1  0.956  0.501  0.250  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.430  0.430  0.250  1.0
  O  O7  1  0.570  0.570  0.750  1.0
  F  F8  1  0.184  0.816  0.500  1.0
  F  F9  1  0.184  0.816  0.000  1.0
  F  F10  1  0.816  0.184  0.500  1.0
  F  F11  1  0.816  0.184  0.000  1.0
  F  F12  1  0.219  0.219  0.492  1.0
  F  F13  1  0.781  0.781  0.508  1.0
  F  F14  1  0.219  0.219  0.008  1.0
  F  F15  1  0.781  0.781  0.992  1.0
  F  F16  1  0.989  0.989  0.250  1.0
  F  F17  1  0.011  0.011  0.750  1.0
[/CIF]
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