The material described by CsO3Br is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded in a 12-coordinate geometry to twelve equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Br(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. is represented by the CIF card [CIF]
data_CsBrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.639
_cell_length_b   4.639
_cell_length_c   4.639
_cell_angle_alpha   88.725
_cell_angle_beta   88.725
_cell_angle_gamma   88.725
_symmetry_Int_Tables_number   1
_cell_volume   99.776
_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
  Cs  Cs0  1  0.002  0.002  0.002  1.0
  Br  Br1  1  0.469  0.469  0.469  1.0
  O  O2  1  0.115  0.522  0.522  1.0
  O  O3  1  0.522  0.522  0.115  1.0
  O  O4  1  0.522  0.115  0.522  1.0
[/CIF]
.
The material described by CsO3Br is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded in a 12-coordinate geometry to twelve equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Br(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. is represented by the CIF card [CIF]
data_CsBrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.639
_cell_length_b   4.639
_cell_length_c   4.639
_cell_angle_alpha   88.725
_cell_angle_beta   88.725
_cell_angle_gamma   88.725
_symmetry_Int_Tables_number   1
_cell_volume   99.776
_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
  Cs  Cs0  1  0.002  0.002  0.002  1.0
  Br  Br1  1  0.469  0.469  0.469  1.0
  O  O2  1  0.115  0.522  0.522  1.0
  O  O3  1  0.522  0.522  0.115  1.0
  O  O4  1  0.522  0.115  0.522  1.0
[/CIF]
.