The material described by HgAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with twelve equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. Al(1) is bonded to six equivalent O(1) atoms to form distorted AlO6 octahedra that share corners with six equivalent Hg(1)O4 tetrahedra and edges with six equivalent Al(1)O6 octahedra. O(1) is bonded to one Hg(1) and three equivalent Al(1) atoms to form a mixture of corner and edge-sharing OAl3Hg tetrahedra. is represented by the CIF card [CIF]
data_Al2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.056
_cell_length_b   6.056
_cell_length_c   6.056
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   157.015
_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
  Al  Al0  1  0.125  0.625  0.625  1.0
  Al  Al1  1  0.625  0.625  0.625  1.0
  Al  Al2  1  0.625  0.625  0.125  1.0
  Al  Al3  1  0.625  0.125  0.625  1.0
  Hg  Hg4  1  0.250  0.250  0.250  1.0
  Hg  Hg5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.397  0.808  0.397  1.0
  O  O7  1  0.397  0.397  0.808  1.0
  O  O8  1  0.853  0.442  0.853  1.0
  O  O9  1  0.853  0.853  0.442  1.0
  O  O10  1  0.853  0.853  0.853  1.0
  O  O11  1  0.442  0.853  0.853  1.0
  O  O12  1  0.808  0.397  0.397  1.0
  O  O13  1  0.397  0.397  0.397  1.0
[/CIF]
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The material described by HgAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with twelve equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. Al(1) is bonded to six equivalent O(1) atoms to form distorted AlO6 octahedra that share corners with six equivalent Hg(1)O4 tetrahedra and edges with six equivalent Al(1)O6 octahedra. O(1) is bonded to one Hg(1) and three equivalent Al(1) atoms to form a mixture of corner and edge-sharing OAl3Hg tetrahedra. is represented by the CIF card [CIF]
data_Al2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.056
_cell_length_b   6.056
_cell_length_c   6.056
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   157.015
_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
  Al  Al0  1  0.125  0.625  0.625  1.0
  Al  Al1  1  0.625  0.625  0.625  1.0
  Al  Al2  1  0.625  0.625  0.125  1.0
  Al  Al3  1  0.625  0.125  0.625  1.0
  Hg  Hg4  1  0.250  0.250  0.250  1.0
  Hg  Hg5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.397  0.808  0.397  1.0
  O  O7  1  0.397  0.397  0.808  1.0
  O  O8  1  0.853  0.442  0.853  1.0
  O  O9  1  0.853  0.853  0.442  1.0
  O  O10  1  0.853  0.853  0.853  1.0
  O  O11  1  0.442  0.853  0.853  1.0
  O  O12  1  0.808  0.397  0.397  1.0
  O  O13  1  0.397  0.397  0.397  1.0
[/CIF]
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