The material described by Rb2CoO3 crystallizes in the monoclinic Cm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted trigonal bipyramidal geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Rb(1), two equivalent Rb(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Rb(2), four equivalent Rb(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Rb(1), four equivalent Rb(2), and one Co(2) atom. is represented by the CIF file [CIF]
data_Rb2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.402
_cell_length_b   6.402
_cell_length_c   5.432
_cell_angle_alpha   89.994
_cell_angle_beta   89.995
_cell_angle_gamma   109.364
_symmetry_Int_Tables_number   1
_cell_volume   210.049
_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  0.182  0.502  0.745  1.0
  Rb  Rb1  1  0.494  0.818  0.244  1.0
  Rb  Rb2  1  0.502  0.182  0.745  1.0
  Rb  Rb3  1  0.818  0.494  0.244  1.0
  Co  Co4  1  0.075  0.075  0.239  1.0
  Co  Co5  1  0.920  0.920  0.739  1.0
  O  O6  1  0.119  0.881  0.994  1.0
  O  O7  1  0.125  0.887  0.487  1.0
  O  O8  1  0.318  0.318  0.230  1.0
  O  O9  1  0.680  0.680  0.731  1.0
  O  O10  1  0.881  0.119  0.994  1.0
  O  O11  1  0.887  0.125  0.487  1.0
[/CIF]
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The material described by Rb2CoO3 crystallizes in the monoclinic Cm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted trigonal bipyramidal geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Rb(1), two equivalent Rb(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Rb(2), four equivalent Rb(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Rb(1), four equivalent Rb(2), and one Co(2) atom. is represented by the CIF file [CIF]
data_Rb2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.402
_cell_length_b   6.402
_cell_length_c   5.432
_cell_angle_alpha   89.994
_cell_angle_beta   89.995
_cell_angle_gamma   109.364
_symmetry_Int_Tables_number   1
_cell_volume   210.049
_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  0.182  0.502  0.745  1.0
  Rb  Rb1  1  0.494  0.818  0.244  1.0
  Rb  Rb2  1  0.502  0.182  0.745  1.0
  Rb  Rb3  1  0.818  0.494  0.244  1.0
  Co  Co4  1  0.075  0.075  0.239  1.0
  Co  Co5  1  0.920  0.920  0.739  1.0
  O  O6  1  0.119  0.881  0.994  1.0
  O  O7  1  0.125  0.887  0.487  1.0
  O  O8  1  0.318  0.318  0.230  1.0
  O  O9  1  0.680  0.680  0.731  1.0
  O  O10  1  0.881  0.119  0.994  1.0
  O  O11  1  0.887  0.125  0.487  1.0
[/CIF]
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