The crystal structure described by Ba2SrUO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Sr(1) is bonded to six equivalent O(1) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. U(1) is bonded to six equivalent O(1) atoms to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sr(1), and one U(1) atom. is represented by the CIF card [CIF]
data_Ba2SrUO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.208
_cell_length_b   6.208
_cell_length_c   6.208
_cell_angle_alpha   61.237
_cell_angle_beta   61.237
_cell_angle_gamma   61.237
_symmetry_Int_Tables_number   1
_cell_volume   173.888
_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
  Ba  Ba0  1  0.747  0.747  0.747  1.0
  Ba  Ba1  1  0.253  0.253  0.253  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  U  U3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.350  0.720  0.193  1.0
  O  O5  1  0.720  0.193  0.350  1.0
  O  O6  1  0.193  0.350  0.720  1.0
  O  O7  1  0.650  0.280  0.807  1.0
  O  O8  1  0.280  0.807  0.650  1.0
  O  O9  1  0.807  0.650  0.280  1.0
[/CIF]
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The crystal structure described by Ba2SrUO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Sr(1) is bonded to six equivalent O(1) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. U(1) is bonded to six equivalent O(1) atoms to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sr(1), and one U(1) atom. is represented by the CIF card [CIF]
data_Ba2SrUO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.208
_cell_length_b   6.208
_cell_length_c   6.208
_cell_angle_alpha   61.237
_cell_angle_beta   61.237
_cell_angle_gamma   61.237
_symmetry_Int_Tables_number   1
_cell_volume   173.888
_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
  Ba  Ba0  1  0.747  0.747  0.747  1.0
  Ba  Ba1  1  0.253  0.253  0.253  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  U  U3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.350  0.720  0.193  1.0
  O  O5  1  0.720  0.193  0.350  1.0
  O  O6  1  0.193  0.350  0.720  1.0
  O  O7  1  0.650  0.280  0.807  1.0
  O  O8  1  0.280  0.807  0.650  1.0
  O  O9  1  0.807  0.650  0.280  1.0
[/CIF]
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