The material structure described by Rb(CuO5)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(1) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), and one O(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one O(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Rb(CuO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   5.705
_cell_length_c   8.243
_cell_angle_alpha   65.125
_cell_angle_beta   65.125
_cell_angle_gamma   67.701
_symmetry_Int_Tables_number   1
_cell_volume   214.015
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.565  0.931  0.731  1.0
  O  O4  1  0.435  0.069  0.269  1.0
  O  O5  1  0.069  0.435  0.269  1.0
  O  O6  1  0.931  0.565  0.731  1.0
  O  O7  1  0.338  0.338  0.185  1.0
  O  O8  1  0.662  0.662  0.815  1.0
  O  O9  1  0.494  0.494  0.428  1.0
  O  O10  1  0.506  0.506  0.572  1.0
  O  O11  1  0.157  0.157  0.606  1.0
  O  O12  1  0.843  0.843  0.394  1.0
[/CIF]
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The material structure described by Rb(CuO5)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(1) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), and one O(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one O(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Rb(CuO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   5.705
_cell_length_c   8.243
_cell_angle_alpha   65.125
_cell_angle_beta   65.125
_cell_angle_gamma   67.701
_symmetry_Int_Tables_number   1
_cell_volume   214.015
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.565  0.931  0.731  1.0
  O  O4  1  0.435  0.069  0.269  1.0
  O  O5  1  0.069  0.435  0.269  1.0
  O  O6  1  0.931  0.565  0.731  1.0
  O  O7  1  0.338  0.338  0.185  1.0
  O  O8  1  0.662  0.662  0.815  1.0
  O  O9  1  0.494  0.494  0.428  1.0
  O  O10  1  0.506  0.506  0.572  1.0
  O  O11  1  0.157  0.157  0.606  1.0
  O  O12  1  0.843  0.843  0.394  1.0
[/CIF]
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