The crystal structure described by BaSr(CoO3)2 crystallizes in the hexagonal P-6m2 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_BaSr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.628
_cell_length_c   4.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.144
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.333  0.667  0.500  1.0
  Co  Co2  1  0.667  0.333  0.250  1.0
  Co  Co3  1  0.667  0.333  0.750  1.0
  O  O4  1  0.365  0.183  0.500  1.0
  O  O5  1  0.817  0.183  0.500  1.0
  O  O6  1  0.817  0.635  0.500  1.0
  O  O7  1  0.970  0.485  0.000  1.0
  O  O8  1  0.515  0.485  0.000  1.0
  O  O9  1  0.515  0.030  0.000  1.0
[/CIF]
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The crystal structure described by BaSr(CoO3)2 crystallizes in the hexagonal P-6m2 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Co(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_BaSr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.628
_cell_length_c   4.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.144
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.333  0.667  0.500  1.0
  Co  Co2  1  0.667  0.333  0.250  1.0
  Co  Co3  1  0.667  0.333  0.750  1.0
  O  O4  1  0.365  0.183  0.500  1.0
  O  O5  1  0.817  0.183  0.500  1.0
  O  O6  1  0.817  0.635  0.500  1.0
  O  O7  1  0.970  0.485  0.000  1.0
  O  O8  1  0.515  0.485  0.000  1.0
  O  O9  1  0.515  0.030  0.000  1.0
[/CIF]
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