The material described by Ba2SrWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Sr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. There are two 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 W(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 W(1) atom. is represented by the CIF card [CIF]
data_Ba2SrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   6.116
_cell_length_c   6.214
_cell_angle_alpha   60.310
_cell_angle_beta   60.310
_cell_angle_gamma   60.095
_symmetry_Int_Tables_number   1
_cell_volume   165.225
_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  0.753  0.753  0.239  1.0
  Ba  Ba1  1  0.247  0.247  0.761  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  W  W3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.315  0.768  0.177  1.0
  O  O5  1  0.232  0.685  0.823  1.0
  O  O6  1  0.685  0.232  0.823  1.0
  O  O7  1  0.768  0.315  0.177  1.0
  O  O8  1  0.281  0.281  0.293  1.0
  O  O9  1  0.719  0.719  0.707  1.0
[/CIF]
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The material described by Ba2SrWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Sr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. There are two 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 W(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 W(1) atom. is represented by the CIF card [CIF]
data_Ba2SrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   6.116
_cell_length_c   6.214
_cell_angle_alpha   60.310
_cell_angle_beta   60.310
_cell_angle_gamma   60.095
_symmetry_Int_Tables_number   1
_cell_volume   165.225
_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  0.753  0.753  0.239  1.0
  Ba  Ba1  1  0.247  0.247  0.761  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  W  W3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.315  0.768  0.177  1.0
  O  O5  1  0.232  0.685  0.823  1.0
  O  O6  1  0.685  0.232  0.823  1.0
  O  O7  1  0.768  0.315  0.177  1.0
  O  O8  1  0.281  0.281  0.293  1.0
  O  O9  1  0.719  0.719  0.707  1.0
[/CIF]
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