The compound described by CaHgO2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form edge-sharing CaO6 octahedra. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Ca(1) and one Hg(1) atom to form a mixture of distorted edge and corner-sharing OCa3Hg tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaHgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.595
_cell_length_b   6.595
_cell_length_c   6.595
_cell_angle_alpha   31.577
_cell_angle_beta   31.577
_cell_angle_gamma   31.577
_symmetry_Int_Tables_number   1
_cell_volume   69.843
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.894  0.894  0.894  1.0
  O  O3  1  0.106  0.106  0.106  1.0
[/CIF]
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The compound described by CaHgO2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form edge-sharing CaO6 octahedra. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Ca(1) and one Hg(1) atom to form a mixture of distorted edge and corner-sharing OCa3Hg tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaHgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.595
_cell_length_b   6.595
_cell_length_c   6.595
_cell_angle_alpha   31.577
_cell_angle_beta   31.577
_cell_angle_gamma   31.577
_symmetry_Int_Tables_number   1
_cell_volume   69.843
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.894  0.894  0.894  1.0
  O  O3  1  0.106  0.106  0.106  1.0
[/CIF]
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