The material structure described by BaO(SrO) is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BaO6 octahedra that share corners with six equivalent Ba(1)O6 octahedra, edges with four equivalent Ba(1)O6 octahedra, and edges with eight equivalent Sr(1)O6 octahedra. The corner-sharing octahedra are not tilted. 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 Sr(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, and edges with eight equivalent Ba(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Sr(1) atoms to form OBa2Sr4 octahedra that share corners with six equivalent O(1)Ba2Sr4 octahedra, edges with four equivalent O(1)Ba2Sr4 octahedra, and edges with eight equivalent O(2)Ba4Sr2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Sr(1) atoms to form OBa4Sr2 octahedra that share corners with six equivalent O(2)Ba4Sr2 octahedra, edges with four equivalent O(2)Ba4Sr2 octahedra, and edges with eight equivalent O(1)Ba2Sr4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_BaSrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.842
_cell_length_b   3.842
_cell_length_c   5.428
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.114
_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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by BaO(SrO) is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BaO6 octahedra that share corners with six equivalent Ba(1)O6 octahedra, edges with four equivalent Ba(1)O6 octahedra, and edges with eight equivalent Sr(1)O6 octahedra. The corner-sharing octahedra are not tilted. 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 Sr(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, and edges with eight equivalent Ba(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Sr(1) atoms to form OBa2Sr4 octahedra that share corners with six equivalent O(1)Ba2Sr4 octahedra, edges with four equivalent O(1)Ba2Sr4 octahedra, and edges with eight equivalent O(2)Ba4Sr2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Sr(1) atoms to form OBa4Sr2 octahedra that share corners with six equivalent O(2)Ba4Sr2 octahedra, edges with four equivalent O(2)Ba4Sr2 octahedra, and edges with eight equivalent O(1)Ba2Sr4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_BaSrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.842
_cell_length_b   3.842
_cell_length_c   5.428
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.114
_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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.000  0.500  1.0
[/CIF]
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