The crystal structure described by SrUO4 crystallizes in the trigonal R-3m space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. U(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1) and three equivalent U(1) atoms to form OSrU3 tetrahedra that share corners with six equivalent O(2)Sr3U tetrahedra, corners with ten equivalent O(1)SrU3 tetrahedra, edges with three equivalent O(2)Sr3U tetrahedra, and edges with three equivalent O(1)SrU3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Sr(1) and one U(1) atom to form distorted OSr3U tetrahedra that share corners with six equivalent O(1)SrU3 tetrahedra, corners with ten equivalent O(2)Sr3U tetrahedra, edges with three equivalent O(2)Sr3U tetrahedra, and edges with three equivalent O(1)SrU3 tetrahedra. is represented by the CIF card [CIF]
data_SrUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.595
_cell_length_b   6.595
_cell_length_c   6.595
_cell_angle_alpha   34.547
_cell_angle_beta   34.547
_cell_angle_gamma   34.547
_symmetry_Int_Tables_number   1
_cell_volume   82.306
_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  0.359  0.359  0.359  1.0
  O  O3  1  0.106  0.106  0.106  1.0
  O  O4  1  0.641  0.641  0.641  1.0
  O  O5  1  0.894  0.894  0.894  1.0
[/CIF]
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The crystal structure described by SrUO4 crystallizes in the trigonal R-3m space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. U(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1) and three equivalent U(1) atoms to form OSrU3 tetrahedra that share corners with six equivalent O(2)Sr3U tetrahedra, corners with ten equivalent O(1)SrU3 tetrahedra, edges with three equivalent O(2)Sr3U tetrahedra, and edges with three equivalent O(1)SrU3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Sr(1) and one U(1) atom to form distorted OSr3U tetrahedra that share corners with six equivalent O(1)SrU3 tetrahedra, corners with ten equivalent O(2)Sr3U tetrahedra, edges with three equivalent O(2)Sr3U tetrahedra, and edges with three equivalent O(1)SrU3 tetrahedra. is represented by the CIF card [CIF]
data_SrUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.595
_cell_length_b   6.595
_cell_length_c   6.595
_cell_angle_alpha   34.547
_cell_angle_beta   34.547
_cell_angle_gamma   34.547
_symmetry_Int_Tables_number   1
_cell_volume   82.306
_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  0.359  0.359  0.359  1.0
  O  O3  1  0.106  0.106  0.106  1.0
  O  O4  1  0.641  0.641  0.641  1.0
  O  O5  1  0.894  0.894  0.894  1.0
[/CIF]
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