The material structure described by Cs2ZrO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to six equivalent Cs(1) and one Zr(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Cs2ZrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   6.871
_cell_length_c   6.871
_cell_angle_alpha   111.529
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.423
_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
  Cs  Cs0  1  0.250  0.809  0.483  1.0
  Cs  Cs1  1  0.750  0.191  0.517  1.0
  Cs  Cs2  1  0.750  0.517  0.191  1.0
  Cs  Cs3  1  0.250  0.483  0.809  1.0
  Zr  Zr4  1  0.250  0.084  0.084  1.0
  Zr  Zr5  1  0.750  0.916  0.916  1.0
  O  O6  1  0.750  0.668  0.668  1.0
  O  O7  1  0.250  0.332  0.332  1.0
  O  O8  1  0.500  0.118  0.882  1.0
  O  O9  1  0.000  0.118  0.882  1.0
  O  O10  1  0.500  0.882  0.118  1.0
  O  O11  1  0.000  0.882  0.118  1.0
[/CIF]
.
The material structure described by Cs2ZrO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to six equivalent Cs(1) and one Zr(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Cs2ZrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   6.871
_cell_length_c   6.871
_cell_angle_alpha   111.529
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.423
_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
  Cs  Cs0  1  0.250  0.809  0.483  1.0
  Cs  Cs1  1  0.750  0.191  0.517  1.0
  Cs  Cs2  1  0.750  0.517  0.191  1.0
  Cs  Cs3  1  0.250  0.483  0.809  1.0
  Zr  Zr4  1  0.250  0.084  0.084  1.0
  Zr  Zr5  1  0.750  0.916  0.916  1.0
  O  O6  1  0.750  0.668  0.668  1.0
  O  O7  1  0.250  0.332  0.332  1.0
  O  O8  1  0.500  0.118  0.882  1.0
  O  O9  1  0.000  0.118  0.882  1.0
  O  O10  1  0.500  0.882  0.118  1.0
  O  O11  1  0.000  0.882  0.118  1.0
[/CIF]
.