The compound described by Ba2SrUO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-29°. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), and one U(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sr(1), and one U(1) atom. In the third O site, O(3) 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   6.252
_cell_length_b   6.292
_cell_length_c   8.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.268
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.779
_cell_formula_units_Z   2
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  0.508  0.468  0.751  1.0
  Ba  Ba1  1  0.992  0.968  0.749  1.0
  Ba  Ba2  1  0.008  0.032  0.251  1.0
  Ba  Ba3  1  0.492  0.532  0.249  1.0
  Sr  Sr4  1  0.000  0.500  0.500  1.0
  Sr  Sr5  1  0.500  0.000  0.000  1.0
  U  U6  1  0.000  0.500  0.000  1.0
  U  U7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.914  0.472  0.227  1.0
  O  O9  1  0.586  0.972  0.273  1.0
  O  O10  1  0.086  0.528  0.773  1.0
  O  O11  1  0.414  0.028  0.727  1.0
  O  O12  1  0.764  0.192  0.541  1.0
  O  O13  1  0.736  0.692  0.959  1.0
  O  O14  1  0.236  0.808  0.459  1.0
  O  O15  1  0.264  0.308  0.041  1.0
  O  O16  1  0.189  0.765  0.051  1.0
  O  O17  1  0.311  0.265  0.449  1.0
  O  O18  1  0.811  0.235  0.949  1.0
  O  O19  1  0.689  0.735  0.551  1.0
[/CIF]
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The compound described by Ba2SrUO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-29°. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), and one U(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sr(1), and one U(1) atom. In the third O site, O(3) 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   6.252
_cell_length_b   6.292
_cell_length_c   8.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.268
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.779
_cell_formula_units_Z   2
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  0.508  0.468  0.751  1.0
  Ba  Ba1  1  0.992  0.968  0.749  1.0
  Ba  Ba2  1  0.008  0.032  0.251  1.0
  Ba  Ba3  1  0.492  0.532  0.249  1.0
  Sr  Sr4  1  0.000  0.500  0.500  1.0
  Sr  Sr5  1  0.500  0.000  0.000  1.0
  U  U6  1  0.000  0.500  0.000  1.0
  U  U7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.914  0.472  0.227  1.0
  O  O9  1  0.586  0.972  0.273  1.0
  O  O10  1  0.086  0.528  0.773  1.0
  O  O11  1  0.414  0.028  0.727  1.0
  O  O12  1  0.764  0.192  0.541  1.0
  O  O13  1  0.736  0.692  0.959  1.0
  O  O14  1  0.236  0.808  0.459  1.0
  O  O15  1  0.264  0.308  0.041  1.0
  O  O16  1  0.189  0.765  0.051  1.0
  O  O17  1  0.311  0.265  0.449  1.0
  O  O18  1  0.811  0.235  0.949  1.0
  O  O19  1  0.689  0.735  0.551  1.0
[/CIF]
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