The material described by Rb5(FeO2)3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent O(2) atoms to form corner-sharing RbO4 tetrahedra. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(2), two equivalent Rb(3), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Rb(3), two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing ORb5Fe octahedra. The corner-sharing octahedral tilt angles are 65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb5(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.601
_cell_length_b   9.601
_cell_length_c   9.601
_cell_angle_alpha   126.705
_cell_angle_beta   126.705
_cell_angle_gamma   78.733
_symmetry_Int_Tables_number   1
_cell_volume   550.448
_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  1.000  1.000  1.000  1.0
  Rb  Rb1  1  0.750  0.250  0.500  1.0
  Rb  Rb2  1  0.245  0.245  0.000  1.0
  Rb  Rb3  1  0.505  0.005  0.500  1.0
  Rb  Rb4  1  0.755  0.755  1.000  1.0
  Rb  Rb5  1  0.995  0.495  0.500  1.0
  Rb  Rb6  1  0.875  0.837  0.462  1.0
  Rb  Rb7  1  0.375  0.413  0.538  1.0
  Rb  Rb8  1  0.587  0.125  0.962  1.0
  Rb  Rb9  1  0.163  0.625  0.038  1.0
  Fe  Fe10  1  0.875  0.367  0.992  1.0
  Fe  Fe11  1  0.375  0.883  0.008  1.0
  Fe  Fe12  1  0.117  0.125  0.492  1.0
  Fe  Fe13  1  0.633  0.625  0.508  1.0
  Fe  Fe14  1  0.500  0.500  1.000  1.0
  Fe  Fe15  1  0.250  0.750  0.500  1.0
  O  O16  1  0.094  0.519  0.261  1.0
  O  O17  1  0.656  0.417  0.925  1.0
  O  O18  1  0.258  0.833  0.739  1.0
  O  O19  1  0.492  0.731  0.075  1.0
  O  O20  1  0.167  0.906  0.425  1.0
  O  O21  1  0.583  0.508  0.239  1.0
  O  O22  1  0.481  0.742  0.575  1.0
  O  O23  1  0.269  0.344  0.761  1.0
  O  O24  1  0.875  0.157  0.782  1.0
  O  O25  1  0.375  0.093  0.218  1.0
  O  O26  1  0.907  0.125  0.282  1.0
  O  O27  1  0.843  0.625  0.718  1.0
[/CIF]
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The material described by Rb5(FeO2)3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent O(2) atoms to form corner-sharing RbO4 tetrahedra. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(2), two equivalent Rb(3), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Rb(3), two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing ORb5Fe octahedra. The corner-sharing octahedral tilt angles are 65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb5(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.601
_cell_length_b   9.601
_cell_length_c   9.601
_cell_angle_alpha   126.705
_cell_angle_beta   126.705
_cell_angle_gamma   78.733
_symmetry_Int_Tables_number   1
_cell_volume   550.448
_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  1.000  1.000  1.000  1.0
  Rb  Rb1  1  0.750  0.250  0.500  1.0
  Rb  Rb2  1  0.245  0.245  0.000  1.0
  Rb  Rb3  1  0.505  0.005  0.500  1.0
  Rb  Rb4  1  0.755  0.755  1.000  1.0
  Rb  Rb5  1  0.995  0.495  0.500  1.0
  Rb  Rb6  1  0.875  0.837  0.462  1.0
  Rb  Rb7  1  0.375  0.413  0.538  1.0
  Rb  Rb8  1  0.587  0.125  0.962  1.0
  Rb  Rb9  1  0.163  0.625  0.038  1.0
  Fe  Fe10  1  0.875  0.367  0.992  1.0
  Fe  Fe11  1  0.375  0.883  0.008  1.0
  Fe  Fe12  1  0.117  0.125  0.492  1.0
  Fe  Fe13  1  0.633  0.625  0.508  1.0
  Fe  Fe14  1  0.500  0.500  1.000  1.0
  Fe  Fe15  1  0.250  0.750  0.500  1.0
  O  O16  1  0.094  0.519  0.261  1.0
  O  O17  1  0.656  0.417  0.925  1.0
  O  O18  1  0.258  0.833  0.739  1.0
  O  O19  1  0.492  0.731  0.075  1.0
  O  O20  1  0.167  0.906  0.425  1.0
  O  O21  1  0.583  0.508  0.239  1.0
  O  O22  1  0.481  0.742  0.575  1.0
  O  O23  1  0.269  0.344  0.761  1.0
  O  O24  1  0.875  0.157  0.782  1.0
  O  O25  1  0.375  0.093  0.218  1.0
  O  O26  1  0.907  0.125  0.282  1.0
  O  O27  1  0.843  0.625  0.718  1.0
[/CIF]
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