The material described by MgU2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. Mg(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. U(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent U(1) atoms to form OMg2U2 tetrahedra that share corners with four equivalent O(1)Mg2U2 tetrahedra, corners with twelve equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(1)Mg2U2 tetrahedra, and edges with four equivalent O(2)MgU3 tetrahedra. In the second O site, O(2) is bonded to one Mg(1) and three equivalent U(1) atoms to form OMgU3 tetrahedra that share corners with six equivalent O(1)Mg2U2 tetrahedra, corners with ten equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(1)Mg2U2 tetrahedra, and edges with four equivalent O(2)MgU3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgU2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.403
_cell_length_b   6.403
_cell_length_c   6.403
_cell_angle_alpha   145.836
_cell_angle_beta   131.795
_cell_angle_gamma   60.403
_symmetry_Int_Tables_number   1
_cell_volume   108.866
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.663  0.663  0.000  1.0
  U  U2  1  0.337  0.337  0.000  1.0
  O  O3  1  0.745  0.500  0.245  1.0
  O  O4  1  0.419  0.169  0.251  1.0
  O  O5  1  0.082  0.831  0.251  1.0
  O  O6  1  0.255  0.500  0.755  1.0
  O  O7  1  0.918  0.169  0.749  1.0
  O  O8  1  0.581  0.831  0.749  1.0
[/CIF]
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The material described by MgU2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. Mg(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. U(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent U(1) atoms to form OMg2U2 tetrahedra that share corners with four equivalent O(1)Mg2U2 tetrahedra, corners with twelve equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(1)Mg2U2 tetrahedra, and edges with four equivalent O(2)MgU3 tetrahedra. In the second O site, O(2) is bonded to one Mg(1) and three equivalent U(1) atoms to form OMgU3 tetrahedra that share corners with six equivalent O(1)Mg2U2 tetrahedra, corners with ten equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(1)Mg2U2 tetrahedra, and edges with four equivalent O(2)MgU3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgU2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.403
_cell_length_b   6.403
_cell_length_c   6.403
_cell_angle_alpha   145.836
_cell_angle_beta   131.795
_cell_angle_gamma   60.403
_symmetry_Int_Tables_number   1
_cell_volume   108.866
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.663  0.663  0.000  1.0
  U  U2  1  0.337  0.337  0.000  1.0
  O  O3  1  0.745  0.500  0.245  1.0
  O  O4  1  0.419  0.169  0.251  1.0
  O  O5  1  0.082  0.831  0.251  1.0
  O  O6  1  0.255  0.500  0.755  1.0
  O  O7  1  0.918  0.169  0.749  1.0
  O  O8  1  0.581  0.831  0.749  1.0
[/CIF]
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