The structure described by BaSr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form BaSr12 cuboctahedra that share corners with four equivalent Ba(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Ba4Sr8 cuboctahedra, edges with eight equivalent Ba(1)Sr12 cuboctahedra, edges with sixteen equivalent Sr(1)Ba4Sr8 cuboctahedra, faces with four equivalent Ba(1)Sr12 cuboctahedra, faces with six equivalent Sr(2)Ba4Sr8 cuboctahedra, and faces with eight equivalent Sr(1)Ba4Sr8 cuboctahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Ba(1), four equivalent Sr(1), and four equivalent Sr(2) atoms to form SrBa4Sr8 cuboctahedra that share corners with twelve equivalent Sr(1)Ba4Sr8 cuboctahedra, edges with eight equivalent Ba(1)Sr12 cuboctahedra, edges with eight equivalent Sr(1)Ba4Sr8 cuboctahedra, edges with eight equivalent Sr(2)Ba4Sr8 cuboctahedra, faces with four equivalent Ba(1)Sr12 cuboctahedra, faces with four equivalent Sr(2)Ba4Sr8 cuboctahedra, and faces with ten equivalent Sr(1)Ba4Sr8 cuboctahedra. In the second Sr site, Sr(2) is bonded to four equivalent Ba(1) and eight equivalent Sr(1) atoms to form SrBa4Sr8 cuboctahedra that share corners with four equivalent Sr(2)Ba4Sr8 cuboctahedra, corners with eight equivalent Ba(1)Sr12 cuboctahedra, edges with eight equivalent Sr(2)Ba4Sr8 cuboctahedra, edges with sixteen equivalent Sr(1)Ba4Sr8 cuboctahedra, faces with four equivalent Sr(2)Ba4Sr8 cuboctahedra, faces with six equivalent Ba(1)Sr12 cuboctahedra, and faces with eight equivalent Sr(1)Ba4Sr8 cuboctahedra. is represented by the CIF card [CIF]
data_BaSr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.562
_cell_length_b   7.562
_cell_length_c   7.562
_cell_angle_alpha   131.487
_cell_angle_beta   131.487
_cell_angle_gamma   71.041
_symmetry_Int_Tables_number   1
_cell_volume   237.593
_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  0.750  0.250  0.500  1.0
  Sr  Sr2  1  0.250  0.750  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by BaSr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form BaSr12 cuboctahedra that share corners with four equivalent Ba(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Ba4Sr8 cuboctahedra, edges with eight equivalent Ba(1)Sr12 cuboctahedra, edges with sixteen equivalent Sr(1)Ba4Sr8 cuboctahedra, faces with four equivalent Ba(1)Sr12 cuboctahedra, faces with six equivalent Sr(2)Ba4Sr8 cuboctahedra, and faces with eight equivalent Sr(1)Ba4Sr8 cuboctahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Ba(1), four equivalent Sr(1), and four equivalent Sr(2) atoms to form SrBa4Sr8 cuboctahedra that share corners with twelve equivalent Sr(1)Ba4Sr8 cuboctahedra, edges with eight equivalent Ba(1)Sr12 cuboctahedra, edges with eight equivalent Sr(1)Ba4Sr8 cuboctahedra, edges with eight equivalent Sr(2)Ba4Sr8 cuboctahedra, faces with four equivalent Ba(1)Sr12 cuboctahedra, faces with four equivalent Sr(2)Ba4Sr8 cuboctahedra, and faces with ten equivalent Sr(1)Ba4Sr8 cuboctahedra. In the second Sr site, Sr(2) is bonded to four equivalent Ba(1) and eight equivalent Sr(1) atoms to form SrBa4Sr8 cuboctahedra that share corners with four equivalent Sr(2)Ba4Sr8 cuboctahedra, corners with eight equivalent Ba(1)Sr12 cuboctahedra, edges with eight equivalent Sr(2)Ba4Sr8 cuboctahedra, edges with sixteen equivalent Sr(1)Ba4Sr8 cuboctahedra, faces with four equivalent Sr(2)Ba4Sr8 cuboctahedra, faces with six equivalent Ba(1)Sr12 cuboctahedra, and faces with eight equivalent Sr(1)Ba4Sr8 cuboctahedra. is represented by the CIF card [CIF]
data_BaSr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.562
_cell_length_b   7.562
_cell_length_c   7.562
_cell_angle_alpha   131.487
_cell_angle_beta   131.487
_cell_angle_gamma   71.041
_symmetry_Int_Tables_number   1
_cell_volume   237.593
_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  0.750  0.250  0.500  1.0
  Sr  Sr2  1  0.250  0.750  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.000  1.0
[/CIF]
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