The material structure described by Sr2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to five equivalent Sr(1) and one U(1) atom. In the second O site, O(1) is bonded to four equivalent Sr(1) and two equivalent U(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4U2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2UO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.175
_cell_length_b   7.175
_cell_length_c   7.175
_cell_angle_alpha   144.129
_cell_angle_beta   144.129
_cell_angle_gamma   51.634
_symmetry_Int_Tables_number   1
_cell_volume   126.107
_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  0.352  0.352  0.000  1.0
  Sr  Sr1  1  0.648  0.648  0.000  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.170  0.170  0.000  1.0
  O  O6  1  0.830  0.830  0.000  1.0
[/CIF]
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The material structure described by Sr2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to five equivalent Sr(1) and one U(1) atom. In the second O site, O(1) is bonded to four equivalent Sr(1) and two equivalent U(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4U2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2UO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.175
_cell_length_b   7.175
_cell_length_c   7.175
_cell_angle_alpha   144.129
_cell_angle_beta   144.129
_cell_angle_gamma   51.634
_symmetry_Int_Tables_number   1
_cell_volume   126.107
_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  0.352  0.352  0.000  1.0
  Sr  Sr1  1  0.648  0.648  0.000  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.170  0.170  0.000  1.0
  O  O6  1  0.830  0.830  0.000  1.0
[/CIF]
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