The compound described by Rb2ZrO3 crystallizes in the monoclinic Cc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. Zr(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form edge-sharing ZrO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Rb(1), and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one Zr(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Rb(2), two equivalent Rb(1), and two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Rb2ZrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.350
_cell_length_b   7.350
_cell_length_c   5.957
_cell_angle_alpha   85.914
_cell_angle_beta   85.914
_cell_angle_gamma   125.036
_symmetry_Int_Tables_number   1
_cell_volume   260.348
_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  0.439  0.615  0.483  1.0
  Rb  Rb1  1  0.752  0.237  0.478  1.0
  Rb  Rb2  1  0.615  0.439  0.983  1.0
  Rb  Rb3  1  0.237  0.752  0.978  1.0
  Zr  Zr4  1  0.088  0.988  0.463  1.0
  Zr  Zr5  1  0.988  0.088  0.963  1.0
  O  O6  1  0.192  0.259  0.227  1.0
  O  O7  1  0.259  0.192  0.727  1.0
  O  O8  1  0.271  0.871  0.432  1.0
  O  O9  1  0.866  0.819  0.219  1.0
  O  O10  1  0.871  0.271  0.932  1.0
  O  O11  1  0.819  0.866  0.719  1.0
[/CIF]
.
The compound described by Rb2ZrO3 crystallizes in the monoclinic Cc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. Zr(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form edge-sharing ZrO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Rb(1), and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one Zr(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Rb(2), two equivalent Rb(1), and two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Rb2ZrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.350
_cell_length_b   7.350
_cell_length_c   5.957
_cell_angle_alpha   85.914
_cell_angle_beta   85.914
_cell_angle_gamma   125.036
_symmetry_Int_Tables_number   1
_cell_volume   260.348
_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  0.439  0.615  0.483  1.0
  Rb  Rb1  1  0.752  0.237  0.478  1.0
  Rb  Rb2  1  0.615  0.439  0.983  1.0
  Rb  Rb3  1  0.237  0.752  0.978  1.0
  Zr  Zr4  1  0.088  0.988  0.463  1.0
  Zr  Zr5  1  0.988  0.088  0.963  1.0
  O  O6  1  0.192  0.259  0.227  1.0
  O  O7  1  0.259  0.192  0.727  1.0
  O  O8  1  0.271  0.871  0.432  1.0
  O  O9  1  0.866  0.819  0.219  1.0
  O  O10  1  0.871  0.271  0.932  1.0
  O  O11  1  0.819  0.866  0.719  1.0
[/CIF]
.