The compound described by Cs2HgO2 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to five equivalent O(1) atoms to form a mixture of corner and edge-sharing CsO5 square pyramids. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to five equivalent Cs(1) and one Hg(1) atom to form a mixture of distorted corner and edge-sharing OCs5Hg octahedra. The corner-sharing octahedral tilt angles range from 0-14°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2HgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.439
_cell_length_b   4.439
_cell_length_c   7.913
_cell_angle_alpha   106.290
_cell_angle_beta   106.290
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.141
_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  0.664  0.664  0.327  1.0
  Cs  Cs1  1  0.336  0.336  0.673  1.0
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.863  0.863  0.727  1.0
  O  O4  1  0.137  0.137  0.273  1.0
[/CIF]
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The compound described by Cs2HgO2 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to five equivalent O(1) atoms to form a mixture of corner and edge-sharing CsO5 square pyramids. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to five equivalent Cs(1) and one Hg(1) atom to form a mixture of distorted corner and edge-sharing OCs5Hg octahedra. The corner-sharing octahedral tilt angles range from 0-14°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2HgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.439
_cell_length_b   4.439
_cell_length_c   7.913
_cell_angle_alpha   106.290
_cell_angle_beta   106.290
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.141
_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  0.664  0.664  0.327  1.0
  Cs  Cs1  1  0.336  0.336  0.673  1.0
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.863  0.863  0.727  1.0
  O  O4  1  0.137  0.137  0.273  1.0
[/CIF]
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