The structure described by Ba2SrI6 is Fluorite-derived structured and crystallizes in the tetragonal P-4b2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to four equivalent I(2) and four equivalent I(3) atoms. In the second Ba site, Ba(2) is bonded in a body-centered cubic geometry to four equivalent I(1) and four equivalent I(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Ba(2) and two equivalent Sr(2) atoms to form IBa2Sr2 tetrahedra that share corners with six equivalent I(3)Ba4 tetrahedra, corners with ten equivalent I(1)Ba2Sr2 tetrahedra,  an edgeedge with one I(3)Ba4 tetrahedra, and edges with five equivalent I(1)Ba2Sr2 tetrahedra. In the second I site, I(2) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form IBa2Sr2 tetrahedra that share corners with six equivalent I(3)Ba4 tetrahedra, corners with ten equivalent I(2)Ba2Sr2 tetrahedra,  an edgeedge with one I(3)Ba4 tetrahedra, and edges with five equivalent I(2)Ba2Sr2 tetrahedra. In the third I site, I(3) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form IBa4 tetrahedra that share corners with four equivalent I(3)Ba4 tetrahedra, corners with six equivalent I(1)Ba2Sr2 tetrahedra, corners with six equivalent I(2)Ba2Sr2 tetrahedra,  an edgeedge with one I(1)Ba2Sr2 tetrahedra,  an edgeedge with one I(2)Ba2Sr2 tetrahedra, and edges with four equivalent I(3)Ba4 tetrahedra. is represented by the CIF card [CIF]
data_Ba2SrI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.297
_cell_length_b   8.297
_cell_length_c   24.897
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1714.031
_cell_formula_units_Z   4
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  0.500  0.165  1.0
  Ba  Ba1  1  0.000  0.000  0.334  1.0
  Ba  Ba2  1  0.000  0.000  0.666  1.0
  Ba  Ba3  1  0.000  0.500  0.835  1.0
  Ba  Ba4  1  0.500  0.500  0.334  1.0
  Ba  Ba5  1  0.500  0.000  0.165  1.0
  Ba  Ba6  1  0.500  0.000  0.835  1.0
  Ba  Ba7  1  0.500  0.500  0.666  1.0
  Sr  Sr8  1  0.000  0.000  0.000  1.0
  Sr  Sr9  1  0.000  0.500  0.500  1.0
  Sr  Sr10  1  0.500  0.000  0.500  1.0
  Sr  Sr11  1  0.500  0.500  0.000  1.0
  I  I12  1  0.236  0.738  0.581  1.0
  I  I13  1  0.226  0.770  0.081  1.0
  I  I14  1  0.230  0.226  0.919  1.0
  I  I15  1  0.238  0.736  0.419  1.0
  I  I16  1  0.247  0.248  0.250  1.0
  I  I17  1  0.252  0.253  0.750  1.0
  I  I18  1  0.248  0.753  0.750  1.0
  I  I19  1  0.253  0.748  0.250  1.0
  I  I20  1  0.270  0.726  0.919  1.0
  I  I21  1  0.262  0.236  0.419  1.0
  I  I22  1  0.274  0.270  0.081  1.0
  I  I23  1  0.264  0.238  0.581  1.0
  I  I24  1  0.736  0.762  0.581  1.0
  I  I25  1  0.726  0.730  0.081  1.0
  I  I26  1  0.738  0.764  0.419  1.0
  I  I27  1  0.730  0.274  0.919  1.0
  I  I28  1  0.747  0.252  0.250  1.0
  I  I29  1  0.752  0.247  0.750  1.0
  I  I30  1  0.748  0.747  0.750  1.0
  I  I31  1  0.753  0.752  0.250  1.0
  I  I32  1  0.762  0.264  0.419  1.0
  I  I33  1  0.770  0.774  0.919  1.0
  I  I34  1  0.774  0.230  0.081  1.0
  I  I35  1  0.764  0.262  0.581  1.0
[/CIF]
.
The structure described by Ba2SrI6 is Fluorite-derived structured and crystallizes in the tetragonal P-4b2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to four equivalent I(2) and four equivalent I(3) atoms. In the second Ba site, Ba(2) is bonded in a body-centered cubic geometry to four equivalent I(1) and four equivalent I(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Ba(2) and two equivalent Sr(2) atoms to form IBa2Sr2 tetrahedra that share corners with six equivalent I(3)Ba4 tetrahedra, corners with ten equivalent I(1)Ba2Sr2 tetrahedra,  an edgeedge with one I(3)Ba4 tetrahedra, and edges with five equivalent I(1)Ba2Sr2 tetrahedra. In the second I site, I(2) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form IBa2Sr2 tetrahedra that share corners with six equivalent I(3)Ba4 tetrahedra, corners with ten equivalent I(2)Ba2Sr2 tetrahedra,  an edgeedge with one I(3)Ba4 tetrahedra, and edges with five equivalent I(2)Ba2Sr2 tetrahedra. In the third I site, I(3) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form IBa4 tetrahedra that share corners with four equivalent I(3)Ba4 tetrahedra, corners with six equivalent I(1)Ba2Sr2 tetrahedra, corners with six equivalent I(2)Ba2Sr2 tetrahedra,  an edgeedge with one I(1)Ba2Sr2 tetrahedra,  an edgeedge with one I(2)Ba2Sr2 tetrahedra, and edges with four equivalent I(3)Ba4 tetrahedra. is represented by the CIF card [CIF]
data_Ba2SrI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.297
_cell_length_b   8.297
_cell_length_c   24.897
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1714.031
_cell_formula_units_Z   4
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  0.500  0.165  1.0
  Ba  Ba1  1  0.000  0.000  0.334  1.0
  Ba  Ba2  1  0.000  0.000  0.666  1.0
  Ba  Ba3  1  0.000  0.500  0.835  1.0
  Ba  Ba4  1  0.500  0.500  0.334  1.0
  Ba  Ba5  1  0.500  0.000  0.165  1.0
  Ba  Ba6  1  0.500  0.000  0.835  1.0
  Ba  Ba7  1  0.500  0.500  0.666  1.0
  Sr  Sr8  1  0.000  0.000  0.000  1.0
  Sr  Sr9  1  0.000  0.500  0.500  1.0
  Sr  Sr10  1  0.500  0.000  0.500  1.0
  Sr  Sr11  1  0.500  0.500  0.000  1.0
  I  I12  1  0.236  0.738  0.581  1.0
  I  I13  1  0.226  0.770  0.081  1.0
  I  I14  1  0.230  0.226  0.919  1.0
  I  I15  1  0.238  0.736  0.419  1.0
  I  I16  1  0.247  0.248  0.250  1.0
  I  I17  1  0.252  0.253  0.750  1.0
  I  I18  1  0.248  0.753  0.750  1.0
  I  I19  1  0.253  0.748  0.250  1.0
  I  I20  1  0.270  0.726  0.919  1.0
  I  I21  1  0.262  0.236  0.419  1.0
  I  I22  1  0.274  0.270  0.081  1.0
  I  I23  1  0.264  0.238  0.581  1.0
  I  I24  1  0.736  0.762  0.581  1.0
  I  I25  1  0.726  0.730  0.081  1.0
  I  I26  1  0.738  0.764  0.419  1.0
  I  I27  1  0.730  0.274  0.919  1.0
  I  I28  1  0.747  0.252  0.250  1.0
  I  I29  1  0.752  0.247  0.750  1.0
  I  I30  1  0.748  0.747  0.750  1.0
  I  I31  1  0.753  0.752  0.250  1.0
  I  I32  1  0.762  0.264  0.419  1.0
  I  I33  1  0.770  0.774  0.919  1.0
  I  I34  1  0.774  0.230  0.081  1.0
  I  I35  1  0.764  0.262  0.581  1.0
[/CIF]
.