The material structure described by Na4SrU3O12 crystallizes in the cubic Im-3m space group. Na(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted NaO12 cuboctahedra that share corners with twelve equivalent Na(1)O12 cuboctahedra, faces with six equivalent Na(1)O12 cuboctahedra, faces with two equivalent Sr(1)O6 octahedra, and faces with six equivalent U(1)O6 octahedra. Sr(1) is bonded to six equivalent O(2) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra and faces with eight equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent Sr(1)O6 octahedra, corners with four equivalent U(1)O6 octahedra, and faces with eight equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent Na(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a linear geometry to four equivalent Na(1), one Sr(1), and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4SrU3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.527
_cell_length_b   7.527
_cell_length_c   7.527
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   328.215
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Sr  Sr4  1  0.000  0.000  0.000  1.0
  U  U5  1  0.000  0.500  0.500  1.0
  U  U6  1  0.500  0.000  0.500  1.0
  U  U7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.500  0.750  0.250  1.0
  O  O9  1  0.500  0.250  0.750  1.0
  O  O10  1  0.250  0.500  0.750  1.0
  O  O11  1  0.750  0.500  0.250  1.0
  O  O12  1  0.750  0.250  0.500  1.0
  O  O13  1  0.250  0.750  0.500  1.0
  O  O14  1  0.000  0.276  0.276  1.0
  O  O15  1  0.000  0.724  0.724  1.0
  O  O16  1  0.276  0.000  0.276  1.0
  O  O17  1  0.724  0.000  0.724  1.0
  O  O18  1  0.276  0.276  0.000  1.0
  O  O19  1  0.724  0.724  0.000  1.0
[/CIF]
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The material structure described by Na4SrU3O12 crystallizes in the cubic Im-3m space group. Na(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted NaO12 cuboctahedra that share corners with twelve equivalent Na(1)O12 cuboctahedra, faces with six equivalent Na(1)O12 cuboctahedra, faces with two equivalent Sr(1)O6 octahedra, and faces with six equivalent U(1)O6 octahedra. Sr(1) is bonded to six equivalent O(2) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra and faces with eight equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent Sr(1)O6 octahedra, corners with four equivalent U(1)O6 octahedra, and faces with eight equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent Na(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a linear geometry to four equivalent Na(1), one Sr(1), and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4SrU3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.527
_cell_length_b   7.527
_cell_length_c   7.527
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   328.215
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Sr  Sr4  1  0.000  0.000  0.000  1.0
  U  U5  1  0.000  0.500  0.500  1.0
  U  U6  1  0.500  0.000  0.500  1.0
  U  U7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.500  0.750  0.250  1.0
  O  O9  1  0.500  0.250  0.750  1.0
  O  O10  1  0.250  0.500  0.750  1.0
  O  O11  1  0.750  0.500  0.250  1.0
  O  O12  1  0.750  0.250  0.500  1.0
  O  O13  1  0.250  0.750  0.500  1.0
  O  O14  1  0.000  0.276  0.276  1.0
  O  O15  1  0.000  0.724  0.724  1.0
  O  O16  1  0.276  0.000  0.276  1.0
  O  O17  1  0.724  0.000  0.724  1.0
  O  O18  1  0.276  0.276  0.000  1.0
  O  O19  1  0.724  0.724  0.000  1.0
[/CIF]
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