The material 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 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded to one O(3) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing RbO4 tetrahedra. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Fe(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Rb(1), two equivalent Rb(3), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ORb4Fe trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Rb(3), three equivalent Rb(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Rb3FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.501
_cell_length_b   5.043
_cell_length_c   11.587
_cell_angle_alpha   77.031
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   711.791
_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  0.415  0.895  0.639  1.0
  Rb  Rb1  1  0.990  0.730  0.623  1.0
  Rb  Rb2  1  0.235  0.509  0.963  1.0
  Rb  Rb3  1  0.085  0.895  0.139  1.0
  Rb  Rb4  1  0.510  0.730  0.123  1.0
  Rb  Rb5  1  0.735  0.491  0.537  1.0
  Rb  Rb6  1  0.265  0.509  0.463  1.0
  Rb  Rb7  1  0.490  0.270  0.877  1.0
  Rb  Rb8  1  0.915  0.105  0.861  1.0
  Rb  Rb9  1  0.765  0.491  0.037  1.0
  Rb  Rb10  1  0.010  0.270  0.377  1.0
  Rb  Rb11  1  0.585  0.105  0.361  1.0
  Fe  Fe12  1  0.682  0.805  0.757  1.0
  Fe  Fe13  1  0.818  0.805  0.257  1.0
  Fe  Fe14  1  0.182  0.195  0.743  1.0
  Fe  Fe15  1  0.318  0.195  0.243  1.0
  O  O16  1  0.637  0.952  0.607  1.0
  O  O17  1  0.589  0.767  0.883  1.0
  O  O18  1  0.863  0.952  0.107  1.0
  O  O19  1  0.815  0.642  0.783  1.0
  O  O20  1  0.911  0.767  0.383  1.0
  O  O21  1  0.685  0.642  0.283  1.0
  O  O22  1  0.315  0.358  0.717  1.0
  O  O23  1  0.089  0.233  0.617  1.0
  O  O24  1  0.185  0.358  0.217  1.0
  O  O25  1  0.137  0.048  0.893  1.0
  O  O26  1  0.411  0.233  0.117  1.0
  O  O27  1  0.363  0.048  0.393  1.0
[/CIF]
.
The material 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 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded to one O(3) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing RbO4 tetrahedra. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Fe(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Rb(1), two equivalent Rb(3), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ORb4Fe trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Rb(3), three equivalent Rb(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Rb3FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.501
_cell_length_b   5.043
_cell_length_c   11.587
_cell_angle_alpha   77.031
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   711.791
_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  0.415  0.895  0.639  1.0
  Rb  Rb1  1  0.990  0.730  0.623  1.0
  Rb  Rb2  1  0.235  0.509  0.963  1.0
  Rb  Rb3  1  0.085  0.895  0.139  1.0
  Rb  Rb4  1  0.510  0.730  0.123  1.0
  Rb  Rb5  1  0.735  0.491  0.537  1.0
  Rb  Rb6  1  0.265  0.509  0.463  1.0
  Rb  Rb7  1  0.490  0.270  0.877  1.0
  Rb  Rb8  1  0.915  0.105  0.861  1.0
  Rb  Rb9  1  0.765  0.491  0.037  1.0
  Rb  Rb10  1  0.010  0.270  0.377  1.0
  Rb  Rb11  1  0.585  0.105  0.361  1.0
  Fe  Fe12  1  0.682  0.805  0.757  1.0
  Fe  Fe13  1  0.818  0.805  0.257  1.0
  Fe  Fe14  1  0.182  0.195  0.743  1.0
  Fe  Fe15  1  0.318  0.195  0.243  1.0
  O  O16  1  0.637  0.952  0.607  1.0
  O  O17  1  0.589  0.767  0.883  1.0
  O  O18  1  0.863  0.952  0.107  1.0
  O  O19  1  0.815  0.642  0.783  1.0
  O  O20  1  0.911  0.767  0.383  1.0
  O  O21  1  0.685  0.642  0.283  1.0
  O  O22  1  0.315  0.358  0.717  1.0
  O  O23  1  0.089  0.233  0.617  1.0
  O  O24  1  0.185  0.358  0.217  1.0
  O  O25  1  0.137  0.048  0.893  1.0
  O  O26  1  0.411  0.233  0.117  1.0
  O  O27  1  0.363  0.048  0.393  1.0
[/CIF]
.