The compound described by MgO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with twelve equivalent Mg(1)O6 octahedra and corners with six equivalent O(1)Mg3O tetrahedra. The corner-sharing octahedral tilt angles are 69°. O(1) is bonded to three equivalent Mg(1) and one O(1) atom to form OMg3O tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and corners with fifteen equivalent O(1)Mg3O tetrahedra. The corner-sharing octahedral tilt angles are 72°. is represented by the CIF file [CIF]
data_MgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.829
_cell_length_b   4.829
_cell_length_c   4.829
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.582
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.500  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.411  0.089  0.911  1.0
  O  O5  1  0.089  0.911  0.411  1.0
  O  O6  1  0.911  0.411  0.089  1.0
  O  O7  1  0.589  0.589  0.589  1.0
  O  O8  1  0.411  0.411  0.411  1.0
  O  O9  1  0.089  0.589  0.911  1.0
  O  O10  1  0.911  0.089  0.589  1.0
  O  O11  1  0.589  0.911  0.089  1.0
[/CIF]
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The compound described by MgO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with twelve equivalent Mg(1)O6 octahedra and corners with six equivalent O(1)Mg3O tetrahedra. The corner-sharing octahedral tilt angles are 69°. O(1) is bonded to three equivalent Mg(1) and one O(1) atom to form OMg3O tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and corners with fifteen equivalent O(1)Mg3O tetrahedra. The corner-sharing octahedral tilt angles are 72°. is represented by the CIF file [CIF]
data_MgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.829
_cell_length_b   4.829
_cell_length_c   4.829
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.582
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.500  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.411  0.089  0.911  1.0
  O  O5  1  0.089  0.911  0.411  1.0
  O  O6  1  0.911  0.411  0.089  1.0
  O  O7  1  0.589  0.589  0.589  1.0
  O  O8  1  0.411  0.411  0.411  1.0
  O  O9  1  0.089  0.589  0.911  1.0
  O  O10  1  0.911  0.089  0.589  1.0
  O  O11  1  0.589  0.911  0.089  1.0
[/CIF]
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