The compound described by Rb3FeO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the third Rb site, Rb(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form edge-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Rb(2), two equivalent Rb(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ORb4Fe2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Rb(3), two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Rb3FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.208
_cell_length_b   7.209
_cell_length_c   7.922
_cell_angle_alpha   63.259
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   622.637
_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  0.939  0.520  0.270  1.0
  Rb  Rb1  1  0.655  0.434  0.482  1.0
  Rb  Rb2  1  0.193  0.633  0.073  1.0
  Rb  Rb3  1  0.561  0.020  0.270  1.0
  Rb  Rb4  1  0.845  0.934  0.482  1.0
  Rb  Rb5  1  0.307  0.133  0.073  1.0
  Rb  Rb6  1  0.807  0.367  0.927  1.0
  Rb  Rb7  1  0.345  0.566  0.518  1.0
  Rb  Rb8  1  0.061  0.480  0.730  1.0
  Rb  Rb9  1  0.693  0.867  0.927  1.0
  Rb  Rb10  1  0.155  0.066  0.518  1.0
  Rb  Rb11  1  0.439  0.980  0.730  1.0
  Fe  Fe12  1  0.452  0.509  0.153  1.0
  Fe  Fe13  1  0.048  0.009  0.153  1.0
  Fe  Fe14  1  0.548  0.491  0.847  1.0
  Fe  Fe15  1  0.952  0.991  0.847  1.0
  O  O16  1  0.604  0.455  0.099  1.0
  O  O17  1  0.884  0.222  0.648  1.0
  O  O18  1  0.896  0.955  0.099  1.0
  O  O19  1  0.616  0.722  0.648  1.0
  O  O20  1  0.563  0.243  0.830  1.0
  O  O21  1  0.937  0.743  0.830  1.0
  O  O22  1  0.437  0.757  0.170  1.0
  O  O23  1  0.063  0.257  0.170  1.0
  O  O24  1  0.116  0.778  0.352  1.0
  O  O25  1  0.396  0.545  0.901  1.0
  O  O26  1  0.384  0.278  0.352  1.0
  O  O27  1  0.104  0.045  0.901  1.0
[/CIF]
.
The compound described by Rb3FeO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the third Rb site, Rb(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form edge-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Rb(2), two equivalent Rb(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ORb4Fe2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Rb(3), two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Rb3FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.208
_cell_length_b   7.209
_cell_length_c   7.922
_cell_angle_alpha   63.259
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   622.637
_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  0.939  0.520  0.270  1.0
  Rb  Rb1  1  0.655  0.434  0.482  1.0
  Rb  Rb2  1  0.193  0.633  0.073  1.0
  Rb  Rb3  1  0.561  0.020  0.270  1.0
  Rb  Rb4  1  0.845  0.934  0.482  1.0
  Rb  Rb5  1  0.307  0.133  0.073  1.0
  Rb  Rb6  1  0.807  0.367  0.927  1.0
  Rb  Rb7  1  0.345  0.566  0.518  1.0
  Rb  Rb8  1  0.061  0.480  0.730  1.0
  Rb  Rb9  1  0.693  0.867  0.927  1.0
  Rb  Rb10  1  0.155  0.066  0.518  1.0
  Rb  Rb11  1  0.439  0.980  0.730  1.0
  Fe  Fe12  1  0.452  0.509  0.153  1.0
  Fe  Fe13  1  0.048  0.009  0.153  1.0
  Fe  Fe14  1  0.548  0.491  0.847  1.0
  Fe  Fe15  1  0.952  0.991  0.847  1.0
  O  O16  1  0.604  0.455  0.099  1.0
  O  O17  1  0.884  0.222  0.648  1.0
  O  O18  1  0.896  0.955  0.099  1.0
  O  O19  1  0.616  0.722  0.648  1.0
  O  O20  1  0.563  0.243  0.830  1.0
  O  O21  1  0.937  0.743  0.830  1.0
  O  O22  1  0.437  0.757  0.170  1.0
  O  O23  1  0.063  0.257  0.170  1.0
  O  O24  1  0.116  0.778  0.352  1.0
  O  O25  1  0.396  0.545  0.901  1.0
  O  O26  1  0.384  0.278  0.352  1.0
  O  O27  1  0.104  0.045  0.901  1.0
[/CIF]
.