The crystal structure described by RbMn4O8 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and three equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and three equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_RbMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.149
_cell_length_b   7.064
_cell_length_c   7.149
_cell_angle_alpha   91.675
_cell_angle_beta   156.319
_cell_angle_gamma   93.209
_symmetry_Int_Tables_number   1
_cell_volume   141.861
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.833  0.183  0.350  1.0
  Mn  Mn2  1  0.347  0.511  0.164  1.0
  Mn  Mn3  1  0.653  0.489  0.836  1.0
  Mn  Mn4  1  0.167  0.817  0.650  1.0
  O  O5  1  0.827  0.368  0.542  1.0
  O  O6  1  0.799  0.956  0.158  1.0
  O  O7  1  0.541  0.699  0.158  1.0
  O  O8  1  0.152  0.359  0.207  1.0
  O  O9  1  0.848  0.641  0.793  1.0
  O  O10  1  0.459  0.301  0.842  1.0
  O  O11  1  0.201  0.044  0.842  1.0
  O  O12  1  0.173  0.632  0.458  1.0
[/CIF]
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The crystal structure described by RbMn4O8 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and three equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and three equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_RbMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.149
_cell_length_b   7.064
_cell_length_c   7.149
_cell_angle_alpha   91.675
_cell_angle_beta   156.319
_cell_angle_gamma   93.209
_symmetry_Int_Tables_number   1
_cell_volume   141.861
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.833  0.183  0.350  1.0
  Mn  Mn2  1  0.347  0.511  0.164  1.0
  Mn  Mn3  1  0.653  0.489  0.836  1.0
  Mn  Mn4  1  0.167  0.817  0.650  1.0
  O  O5  1  0.827  0.368  0.542  1.0
  O  O6  1  0.799  0.956  0.158  1.0
  O  O7  1  0.541  0.699  0.158  1.0
  O  O8  1  0.152  0.359  0.207  1.0
  O  O9  1  0.848  0.641  0.793  1.0
  O  O10  1  0.459  0.301  0.842  1.0
  O  O11  1  0.201  0.044  0.842  1.0
  O  O12  1  0.173  0.632  0.458  1.0
[/CIF]
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