The compound described by Ba2SrTi3O9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmm2 space group. Ba(1) is bonded to one O(2), three equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with five equivalent Sr(1)O12 cuboctahedra, corners with seven equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, and faces with six equivalent Ti(1)O6 octahedra. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and eight equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with ten equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Ba(1), one Sr(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Ti(2) atoms to form distorted OBa2Sr2Ti2 octahedra that share corners with four equivalent O(2)Ba2Sr2Ti2 octahedra and corners with eight equivalent O(4)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to four equivalent Ba(1) and two equivalent Ti(1) atoms to form distorted OBa4Ti2 octahedra that share corners with four equivalent O(2)Ba2Sr2Ti2 octahedra, corners with four equivalent O(4)Ba4Ti2 octahedra, edges with two equivalent O(4)Ba4Ti2 octahedra, and faces with two equivalent O(4)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2SrTi3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.913
_cell_length_b   8.913
_cell_length_c   4.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.082
_symmetry_Int_Tables_number   1
_cell_volume   195.567
_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  0.667  0.333  0.005  1.0
  Ba  Ba1  1  0.333  0.667  0.005  1.0
  Sr  Sr2  1  0.000  0.000  0.995  1.0
  Ti  Ti3  1  0.165  0.835  0.486  1.0
  Ti  Ti4  1  0.835  0.165  0.486  1.0
  Ti  Ti5  1  0.500  0.500  0.486  1.0
  O  O6  1  0.163  0.837  0.036  1.0
  O  O7  1  0.837  0.163  0.036  1.0
  O  O8  1  0.500  0.500  0.036  1.0
  O  O9  1  0.835  0.671  0.527  1.0
  O  O10  1  0.500  0.000  0.522  1.0
  O  O11  1  0.165  0.329  0.527  1.0
  O  O12  1  0.329  0.165  0.527  1.0
  O  O13  1  0.000  0.500  0.522  1.0
  O  O14  1  0.671  0.835  0.527  1.0
[/CIF]
.
The compound described by Ba2SrTi3O9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmm2 space group. Ba(1) is bonded to one O(2), three equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with five equivalent Sr(1)O12 cuboctahedra, corners with seven equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, and faces with six equivalent Ti(1)O6 octahedra. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and eight equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with ten equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Ba(1), one Sr(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Ti(2) atoms to form distorted OBa2Sr2Ti2 octahedra that share corners with four equivalent O(2)Ba2Sr2Ti2 octahedra and corners with eight equivalent O(4)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to four equivalent Ba(1) and two equivalent Ti(1) atoms to form distorted OBa4Ti2 octahedra that share corners with four equivalent O(2)Ba2Sr2Ti2 octahedra, corners with four equivalent O(4)Ba4Ti2 octahedra, edges with two equivalent O(4)Ba4Ti2 octahedra, and faces with two equivalent O(4)Ba4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2SrTi3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.913
_cell_length_b   8.913
_cell_length_c   4.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.082
_symmetry_Int_Tables_number   1
_cell_volume   195.567
_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  0.667  0.333  0.005  1.0
  Ba  Ba1  1  0.333  0.667  0.005  1.0
  Sr  Sr2  1  0.000  0.000  0.995  1.0
  Ti  Ti3  1  0.165  0.835  0.486  1.0
  Ti  Ti4  1  0.835  0.165  0.486  1.0
  Ti  Ti5  1  0.500  0.500  0.486  1.0
  O  O6  1  0.163  0.837  0.036  1.0
  O  O7  1  0.837  0.163  0.036  1.0
  O  O8  1  0.500  0.500  0.036  1.0
  O  O9  1  0.835  0.671  0.527  1.0
  O  O10  1  0.500  0.000  0.522  1.0
  O  O11  1  0.165  0.329  0.527  1.0
  O  O12  1  0.329  0.165  0.527  1.0
  O  O13  1  0.000  0.500  0.522  1.0
  O  O14  1  0.671  0.835  0.527  1.0
[/CIF]
.