The compound described by MgU2O6 is Fluorite-derived structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one U(2), and two equivalent U(1) atoms to form OMgU3 tetrahedra that share corners with four equivalent O(1)MgU3 tetrahedra, corners with six equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one U(1), and two equivalent U(2) atoms to form OMgU3 tetrahedra that share corners with four equivalent O(2)MgU3 tetrahedra, corners with six equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(1)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1), one U(1), and one U(2) atom to form OMg2U2 tetrahedra that share corners with four equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(1)MgU3 tetrahedra, corners with six equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. is represented by the CIF file [CIF]
data_MgU2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.420
_cell_length_b   6.420
_cell_length_c   6.557
_cell_angle_alpha   80.405
_cell_angle_beta   80.405
_cell_angle_gamma   120.256
_symmetry_Int_Tables_number   1
_cell_volume   219.992
_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
  Mg  Mg0  1  0.422  0.578  0.750  1.0
  Mg  Mg1  1  0.578  0.422  0.250  1.0
  U  U2  1  0.746  0.254  0.750  1.0
  U  U3  1  0.254  0.746  0.250  1.0
  U  U4  1  0.084  0.916  0.750  1.0
  U  U5  1  0.916  0.084  0.250  1.0
  O  O6  1  0.127  0.622  0.623  1.0
  O  O7  1  0.799  0.971  0.621  1.0
  O  O8  1  0.622  0.127  0.123  1.0
  O  O9  1  0.448  0.281  0.633  1.0
  O  O10  1  0.552  0.719  0.367  1.0
  O  O11  1  0.281  0.448  0.133  1.0
  O  O12  1  0.201  0.029  0.379  1.0
  O  O13  1  0.971  0.799  0.121  1.0
  O  O14  1  0.029  0.201  0.879  1.0
  O  O15  1  0.873  0.378  0.377  1.0
  O  O16  1  0.719  0.552  0.867  1.0
  O  O17  1  0.378  0.873  0.877  1.0
[/CIF]
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The compound described by MgU2O6 is Fluorite-derived structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one U(2), and two equivalent U(1) atoms to form OMgU3 tetrahedra that share corners with four equivalent O(1)MgU3 tetrahedra, corners with six equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one U(1), and two equivalent U(2) atoms to form OMgU3 tetrahedra that share corners with four equivalent O(2)MgU3 tetrahedra, corners with six equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(1)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1), one U(1), and one U(2) atom to form OMg2U2 tetrahedra that share corners with four equivalent O(3)Mg2U2 tetrahedra, corners with six equivalent O(1)MgU3 tetrahedra, corners with six equivalent O(2)MgU3 tetrahedra, edges with two equivalent O(3)Mg2U2 tetrahedra, edges with two equivalent O(1)MgU3 tetrahedra, and edges with two equivalent O(2)MgU3 tetrahedra. is represented by the CIF file [CIF]
data_MgU2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.420
_cell_length_b   6.420
_cell_length_c   6.557
_cell_angle_alpha   80.405
_cell_angle_beta   80.405
_cell_angle_gamma   120.256
_symmetry_Int_Tables_number   1
_cell_volume   219.992
_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
  Mg  Mg0  1  0.422  0.578  0.750  1.0
  Mg  Mg1  1  0.578  0.422  0.250  1.0
  U  U2  1  0.746  0.254  0.750  1.0
  U  U3  1  0.254  0.746  0.250  1.0
  U  U4  1  0.084  0.916  0.750  1.0
  U  U5  1  0.916  0.084  0.250  1.0
  O  O6  1  0.127  0.622  0.623  1.0
  O  O7  1  0.799  0.971  0.621  1.0
  O  O8  1  0.622  0.127  0.123  1.0
  O  O9  1  0.448  0.281  0.633  1.0
  O  O10  1  0.552  0.719  0.367  1.0
  O  O11  1  0.281  0.448  0.133  1.0
  O  O12  1  0.201  0.029  0.379  1.0
  O  O13  1  0.971  0.799  0.121  1.0
  O  O14  1  0.029  0.201  0.879  1.0
  O  O15  1  0.873  0.378  0.377  1.0
  O  O16  1  0.719  0.552  0.867  1.0
  O  O17  1  0.378  0.873  0.877  1.0
[/CIF]
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