The crystal structure described by Cs2BaO2 is Bixbyite (Mn,Fe)2O4-like structured and crystallizes in the orthorhombic Pbcn space group. Cs(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Ba(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Cs2BaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   7.357
_cell_length_c   11.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   596.809
_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
  Cs  Cs0  1  0.412  0.597  0.159  1.0
  Cs  Cs1  1  0.588  0.097  0.159  1.0
  Cs  Cs2  1  0.088  0.097  0.341  1.0
  Cs  Cs3  1  0.912  0.597  0.341  1.0
  Cs  Cs4  1  0.088  0.403  0.659  1.0
  Cs  Cs5  1  0.912  0.903  0.659  1.0
  Cs  Cs6  1  0.412  0.903  0.841  1.0
  Cs  Cs7  1  0.588  0.403  0.841  1.0
  Ba  Ba8  1  0.027  0.250  0.000  1.0
  Ba  Ba9  1  0.973  0.750  0.000  1.0
  Ba  Ba10  1  0.473  0.750  0.500  1.0
  Ba  Ba11  1  0.527  0.250  0.500  1.0
  O  O12  1  0.193  0.975  0.106  1.0
  O  O13  1  0.807  0.475  0.106  1.0
  O  O14  1  0.307  0.475  0.394  1.0
  O  O15  1  0.693  0.975  0.394  1.0
  O  O16  1  0.307  0.025  0.606  1.0
  O  O17  1  0.693  0.525  0.606  1.0
  O  O18  1  0.193  0.525  0.894  1.0
  O  O19  1  0.807  0.025  0.894  1.0
[/CIF]
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The crystal structure described by Cs2BaO2 is Bixbyite (Mn,Fe)2O4-like structured and crystallizes in the orthorhombic Pbcn space group. Cs(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Ba(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Cs2BaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   7.357
_cell_length_c   11.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   596.809
_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
  Cs  Cs0  1  0.412  0.597  0.159  1.0
  Cs  Cs1  1  0.588  0.097  0.159  1.0
  Cs  Cs2  1  0.088  0.097  0.341  1.0
  Cs  Cs3  1  0.912  0.597  0.341  1.0
  Cs  Cs4  1  0.088  0.403  0.659  1.0
  Cs  Cs5  1  0.912  0.903  0.659  1.0
  Cs  Cs6  1  0.412  0.903  0.841  1.0
  Cs  Cs7  1  0.588  0.403  0.841  1.0
  Ba  Ba8  1  0.027  0.250  0.000  1.0
  Ba  Ba9  1  0.973  0.750  0.000  1.0
  Ba  Ba10  1  0.473  0.750  0.500  1.0
  Ba  Ba11  1  0.527  0.250  0.500  1.0
  O  O12  1  0.193  0.975  0.106  1.0
  O  O13  1  0.807  0.475  0.106  1.0
  O  O14  1  0.307  0.475  0.394  1.0
  O  O15  1  0.693  0.975  0.394  1.0
  O  O16  1  0.307  0.025  0.606  1.0
  O  O17  1  0.693  0.525  0.606  1.0
  O  O18  1  0.193  0.525  0.894  1.0
  O  O19  1  0.807  0.025  0.894  1.0
[/CIF]
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