The material described by Rb2ZrO3 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Zr(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted edge-sharing ZrO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to four equivalent Rb(1) and one Zr(1) atom. is represented by the CIF card [CIF]
data_Rb2ZrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   7.366
_cell_length_c   10.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.136
_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  0.242  0.608  0.087  1.0
  Rb  Rb1  1  0.242  0.608  0.413  1.0
  Rb  Rb2  1  0.258  0.108  0.587  1.0
  Rb  Rb3  1  0.258  0.108  0.913  1.0
  Rb  Rb4  1  0.742  0.892  0.087  1.0
  Rb  Rb5  1  0.742  0.892  0.413  1.0
  Rb  Rb6  1  0.758  0.392  0.587  1.0
  Rb  Rb7  1  0.758  0.392  0.913  1.0
  Zr  Zr8  1  0.235  0.662  0.750  1.0
  Zr  Zr9  1  0.265  0.162  0.250  1.0
  Zr  Zr10  1  0.735  0.838  0.750  1.0
  Zr  Zr11  1  0.765  0.338  0.250  1.0
  O  O12  1  0.009  0.241  0.126  1.0
  O  O13  1  0.009  0.241  0.374  1.0
  O  O14  1  0.203  0.404  0.750  1.0
  O  O15  1  0.297  0.904  0.250  1.0
  O  O16  1  0.491  0.741  0.874  1.0
  O  O17  1  0.491  0.741  0.626  1.0
  O  O18  1  0.509  0.259  0.126  1.0
  O  O19  1  0.509  0.259  0.374  1.0
  O  O20  1  0.703  0.096  0.750  1.0
  O  O21  1  0.797  0.596  0.250  1.0
  O  O22  1  0.991  0.759  0.626  1.0
  O  O23  1  0.991  0.759  0.874  1.0
[/CIF]
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The material described by Rb2ZrO3 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Zr(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted edge-sharing ZrO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to four equivalent Rb(1) and one Zr(1) atom. is represented by the CIF card [CIF]
data_Rb2ZrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   7.366
_cell_length_c   10.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.136
_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  0.242  0.608  0.087  1.0
  Rb  Rb1  1  0.242  0.608  0.413  1.0
  Rb  Rb2  1  0.258  0.108  0.587  1.0
  Rb  Rb3  1  0.258  0.108  0.913  1.0
  Rb  Rb4  1  0.742  0.892  0.087  1.0
  Rb  Rb5  1  0.742  0.892  0.413  1.0
  Rb  Rb6  1  0.758  0.392  0.587  1.0
  Rb  Rb7  1  0.758  0.392  0.913  1.0
  Zr  Zr8  1  0.235  0.662  0.750  1.0
  Zr  Zr9  1  0.265  0.162  0.250  1.0
  Zr  Zr10  1  0.735  0.838  0.750  1.0
  Zr  Zr11  1  0.765  0.338  0.250  1.0
  O  O12  1  0.009  0.241  0.126  1.0
  O  O13  1  0.009  0.241  0.374  1.0
  O  O14  1  0.203  0.404  0.750  1.0
  O  O15  1  0.297  0.904  0.250  1.0
  O  O16  1  0.491  0.741  0.874  1.0
  O  O17  1  0.491  0.741  0.626  1.0
  O  O18  1  0.509  0.259  0.126  1.0
  O  O19  1  0.509  0.259  0.374  1.0
  O  O20  1  0.703  0.096  0.750  1.0
  O  O21  1  0.797  0.596  0.250  1.0
  O  O22  1  0.991  0.759  0.626  1.0
  O  O23  1  0.991  0.759  0.874  1.0
[/CIF]
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