The compound described by Ba2SrWO6 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 W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sr(1), and one W(1) atom. is represented by the CIF card [CIF]
data_Ba2SrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.129
_cell_length_c   6.129
_cell_angle_alpha   60.955
_cell_angle_beta   60.955
_cell_angle_gamma   60.955
_symmetry_Int_Tables_number   1
_cell_volume   166.341
_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
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.782  0.286  0.661  1.0
  O  O5  1  0.714  0.339  0.218  1.0
  O  O6  1  0.286  0.661  0.782  1.0
  O  O7  1  0.661  0.782  0.286  1.0
  O  O8  1  0.339  0.218  0.714  1.0
  O  O9  1  0.218  0.714  0.339  1.0
[/CIF]
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The compound described by Ba2SrWO6 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 W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sr(1), and one W(1) atom. is represented by the CIF card [CIF]
data_Ba2SrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.129
_cell_length_c   6.129
_cell_angle_alpha   60.955
_cell_angle_beta   60.955
_cell_angle_gamma   60.955
_symmetry_Int_Tables_number   1
_cell_volume   166.341
_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
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.782  0.286  0.661  1.0
  O  O5  1  0.714  0.339  0.218  1.0
  O  O6  1  0.286  0.661  0.782  1.0
  O  O7  1  0.661  0.782  0.286  1.0
  O  O8  1  0.339  0.218  0.714  1.0
  O  O9  1  0.218  0.714  0.339  1.0
[/CIF]
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