The material described by MgUO4 is Calcite-like structured and crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with eight equivalent U(1)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with eight equivalent Mg(1)O6 octahedra and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one U(1) atom. is represented by the CIF card [CIF]
data_MgUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.483
_cell_length_b   4.711
_cell_length_c   4.711
_cell_angle_alpha   90.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   77.303
_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  0.500  0.500  1.0
  U  U1  1  0.500  0.000  0.000  1.0
  O  O2  1  0.000  0.191  0.809  1.0
  O  O3  1  1.000  0.809  0.191  1.0
  O  O4  1  0.500  0.298  0.298  1.0
  O  O5  1  0.500  0.702  0.702  1.0
[/CIF]
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The material described by MgUO4 is Calcite-like structured and crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with eight equivalent U(1)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with eight equivalent Mg(1)O6 octahedra and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one U(1) atom. is represented by the CIF card [CIF]
data_MgUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.483
_cell_length_b   4.711
_cell_length_c   4.711
_cell_angle_alpha   90.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   77.303
_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  0.500  0.500  1.0
  U  U1  1  0.500  0.000  0.000  1.0
  O  O2  1  0.000  0.191  0.809  1.0
  O  O3  1  1.000  0.809  0.191  1.0
  O  O4  1  0.500  0.298  0.298  1.0
  O  O5  1  0.500  0.702  0.702  1.0
[/CIF]
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