The material described by SrUO4 crystallizes in the trigonal R-3m space group. Sr(1) is bonded to six equivalent O(1) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O8 hexagonal bipyramids and edges with six equivalent Sr(1)O6 octahedra. U(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted UO8 hexagonal bipyramids that share corners with six equivalent Sr(1)O6 octahedra and edges with six equivalent U(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent U(1) atoms. In the second O site, O(1) is bonded to three equivalent Sr(1) and one U(1) atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. is represented by the CIF file [CIF]
data_SrUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.779
_cell_length_b   6.779
_cell_length_c   6.779
_cell_angle_alpha   33.514
_cell_angle_beta   33.514
_cell_angle_gamma   33.514
_symmetry_Int_Tables_number   1
_cell_volume   84.605
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.895  0.895  0.895  1.0
  O  O3  1  0.105  0.105  0.105  1.0
  O  O4  1  0.311  0.311  0.311  1.0
  O  O5  1  0.689  0.689  0.689  1.0
[/CIF]
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The material described by SrUO4 crystallizes in the trigonal R-3m space group. Sr(1) is bonded to six equivalent O(1) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O8 hexagonal bipyramids and edges with six equivalent Sr(1)O6 octahedra. U(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted UO8 hexagonal bipyramids that share corners with six equivalent Sr(1)O6 octahedra and edges with six equivalent U(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent U(1) atoms. In the second O site, O(1) is bonded to three equivalent Sr(1) and one U(1) atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. is represented by the CIF file [CIF]
data_SrUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.779
_cell_length_b   6.779
_cell_length_c   6.779
_cell_angle_alpha   33.514
_cell_angle_beta   33.514
_cell_angle_gamma   33.514
_symmetry_Int_Tables_number   1
_cell_volume   84.605
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.895  0.895  0.895  1.0
  O  O3  1  0.105  0.105  0.105  1.0
  O  O4  1  0.311  0.311  0.311  1.0
  O  O5  1  0.689  0.689  0.689  1.0
[/CIF]
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