The structure described by Ba2SrI6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Ba(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form BaI6 octahedra that share corners with four equivalent Ba(1)I6 octahedra, corners with four equivalent Sr(1)I6 octahedra,  an edgeedge with one Ba(1)I6 octahedra, and  an edgeedge with one Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. Sr(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form SrI6 octahedra that share corners with eight equivalent Ba(1)I6 octahedra and edges with two equivalent Ba(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Sr(1) atom. In the second I site, I(2) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Sr(1) atom. is represented by the CIF card [CIF]
data_Ba2SrI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.994
_cell_length_b   7.994
_cell_length_c   15.617
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   998.080
_cell_formula_units_Z   2
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  0.833  1.0
  Ba  Ba1  1  0.000  0.000  0.167  1.0
  Ba  Ba2  1  0.500  0.500  0.333  1.0
  Ba  Ba3  1  0.500  0.500  0.667  1.0
  Sr  Sr4  1  0.000  0.000  0.500  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  I  I6  1  0.205  0.795  0.000  1.0
  I  I7  1  0.192  0.808  0.660  1.0
  I  I8  1  0.192  0.808  0.340  1.0
  I  I9  1  0.308  0.308  0.840  1.0
  I  I10  1  0.308  0.308  0.160  1.0
  I  I11  1  0.295  0.295  0.500  1.0
  I  I12  1  0.705  0.705  0.500  1.0
  I  I13  1  0.692  0.692  0.160  1.0
  I  I14  1  0.692  0.692  0.840  1.0
  I  I15  1  0.808  0.192  0.340  1.0
  I  I16  1  0.808  0.192  0.660  1.0
  I  I17  1  0.795  0.205  0.000  1.0
[/CIF]
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The structure described by Ba2SrI6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Ba(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form BaI6 octahedra that share corners with four equivalent Ba(1)I6 octahedra, corners with four equivalent Sr(1)I6 octahedra,  an edgeedge with one Ba(1)I6 octahedra, and  an edgeedge with one Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. Sr(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form SrI6 octahedra that share corners with eight equivalent Ba(1)I6 octahedra and edges with two equivalent Ba(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Sr(1) atom. In the second I site, I(2) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Sr(1) atom. is represented by the CIF card [CIF]
data_Ba2SrI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.994
_cell_length_b   7.994
_cell_length_c   15.617
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   998.080
_cell_formula_units_Z   2
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  0.833  1.0
  Ba  Ba1  1  0.000  0.000  0.167  1.0
  Ba  Ba2  1  0.500  0.500  0.333  1.0
  Ba  Ba3  1  0.500  0.500  0.667  1.0
  Sr  Sr4  1  0.000  0.000  0.500  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  I  I6  1  0.205  0.795  0.000  1.0
  I  I7  1  0.192  0.808  0.660  1.0
  I  I8  1  0.192  0.808  0.340  1.0
  I  I9  1  0.308  0.308  0.840  1.0
  I  I10  1  0.308  0.308  0.160  1.0
  I  I11  1  0.295  0.295  0.500  1.0
  I  I12  1  0.705  0.705  0.500  1.0
  I  I13  1  0.692  0.692  0.160  1.0
  I  I14  1  0.692  0.692  0.840  1.0
  I  I15  1  0.808  0.192  0.340  1.0
  I  I16  1  0.808  0.192  0.660  1.0
  I  I17  1  0.795  0.205  0.000  1.0
[/CIF]
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