The structure described by Cs2HfO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Hf(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to six equivalent Cs(1) and one Hf(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2HfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   5.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.328
_symmetry_Int_Tables_number   1
_cell_volume   257.383
_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  0.517  0.191  0.750  1.0
  Cs  Cs1  1  0.809  0.483  0.250  1.0
  Cs  Cs2  1  0.483  0.809  0.250  1.0
  Cs  Cs3  1  0.191  0.517  0.750  1.0
  Hf  Hf4  1  0.082  0.082  0.250  1.0
  Hf  Hf5  1  0.918  0.918  0.750  1.0
  O  O6  1  0.884  0.116  0.000  1.0
  O  O7  1  0.884  0.116  0.500  1.0
  O  O8  1  0.672  0.672  0.750  1.0
  O  O9  1  0.328  0.328  0.250  1.0
  O  O10  1  0.116  0.884  0.000  1.0
  O  O11  1  0.116  0.884  0.500  1.0
[/CIF]
.
The structure described by Cs2HfO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Hf(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to six equivalent Cs(1) and one Hf(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2HfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   5.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.328
_symmetry_Int_Tables_number   1
_cell_volume   257.383
_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  0.517  0.191  0.750  1.0
  Cs  Cs1  1  0.809  0.483  0.250  1.0
  Cs  Cs2  1  0.483  0.809  0.250  1.0
  Cs  Cs3  1  0.191  0.517  0.750  1.0
  Hf  Hf4  1  0.082  0.082  0.250  1.0
  Hf  Hf5  1  0.918  0.918  0.750  1.0
  O  O6  1  0.884  0.116  0.000  1.0
  O  O7  1  0.884  0.116  0.500  1.0
  O  O8  1  0.672  0.672  0.750  1.0
  O  O9  1  0.328  0.328  0.250  1.0
  O  O10  1  0.116  0.884  0.000  1.0
  O  O11  1  0.116  0.884  0.500  1.0
[/CIF]
.