The structure described by BaSrI4 crystallizes in the trigonal R3c space group. Ba(1) is bonded in a 6-coordinate geometry to one I(1), one I(3), two equivalent I(2), and two equivalent I(4) atoms. Sr(1) is bonded to one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms to form distorted corner-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles range from 9-42°. There are four inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Ba(1) and one Sr(1) atom. In the second I site, I(2) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form distorted edge-sharing IBa2Sr2 tetrahedra. In the third I site, I(3) is bonded in a T-shaped geometry to one Ba(1) and two equivalent Sr(1) atoms. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Sr(1) atom. is represented by the CIF file [CIF]
data_BaSrI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.433
_cell_length_b   14.433
_cell_length_c   14.433
_cell_angle_alpha   114.467
_cell_angle_beta   114.467
_cell_angle_gamma   114.467
_symmetry_Int_Tables_number   1
_cell_volume   1761.455
_cell_formula_units_Z   6
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  0.857  0.284  0.108  1.0
  Ba  Ba1  1  0.784  0.357  0.608  1.0
  Ba  Ba2  1  0.284  0.108  0.857  1.0
  Ba  Ba3  1  0.608  0.784  0.357  1.0
  Ba  Ba4  1  0.357  0.608  0.784  1.0
  Ba  Ba5  1  0.108  0.857  0.284  1.0
  Sr  Sr6  1  0.916  0.095  0.330  1.0
  Sr  Sr7  1  0.595  0.416  0.830  1.0
  Sr  Sr8  1  0.830  0.595  0.416  1.0
  Sr  Sr9  1  0.095  0.330  0.916  1.0
  Sr  Sr10  1  0.416  0.830  0.595  1.0
  Sr  Sr11  1  0.330  0.916  0.095  1.0
  I  I12  1  0.909  0.078  0.102  1.0
  I  I13  1  0.885  0.154  0.573  1.0
  I  I14  1  0.752  0.091  0.773  1.0
  I  I15  1  0.995  0.393  0.464  1.0
  I  I16  1  0.893  0.495  0.964  1.0
  I  I17  1  0.591  0.252  0.273  1.0
  I  I18  1  0.654  0.385  0.073  1.0
  I  I19  1  0.385  0.073  0.654  1.0
  I  I20  1  0.578  0.409  0.602  1.0
  I  I21  1  0.964  0.893  0.495  1.0
  I  I22  1  0.602  0.578  0.409  1.0
  I  I23  1  0.773  0.752  0.091  1.0
  I  I24  1  0.252  0.273  0.591  1.0
  I  I25  1  0.078  0.102  0.909  1.0
  I  I26  1  0.393  0.464  0.995  1.0
  I  I27  1  0.409  0.602  0.578  1.0
  I  I28  1  0.573  0.885  0.154  1.0
  I  I29  1  0.273  0.591  0.252  1.0
  I  I30  1  0.154  0.573  0.885  1.0
  I  I31  1  0.495  0.964  0.893  1.0
  I  I32  1  0.464  0.995  0.393  1.0
  I  I33  1  0.073  0.654  0.385  1.0
  I  I34  1  0.091  0.773  0.752  1.0
  I  I35  1  0.102  0.909  0.078  1.0
[/CIF]
.
The structure described by BaSrI4 crystallizes in the trigonal R3c space group. Ba(1) is bonded in a 6-coordinate geometry to one I(1), one I(3), two equivalent I(2), and two equivalent I(4) atoms. Sr(1) is bonded to one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms to form distorted corner-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles range from 9-42°. There are four inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Ba(1) and one Sr(1) atom. In the second I site, I(2) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form distorted edge-sharing IBa2Sr2 tetrahedra. In the third I site, I(3) is bonded in a T-shaped geometry to one Ba(1) and two equivalent Sr(1) atoms. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Sr(1) atom. is represented by the CIF file [CIF]
data_BaSrI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.433
_cell_length_b   14.433
_cell_length_c   14.433
_cell_angle_alpha   114.467
_cell_angle_beta   114.467
_cell_angle_gamma   114.467
_symmetry_Int_Tables_number   1
_cell_volume   1761.455
_cell_formula_units_Z   6
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  0.857  0.284  0.108  1.0
  Ba  Ba1  1  0.784  0.357  0.608  1.0
  Ba  Ba2  1  0.284  0.108  0.857  1.0
  Ba  Ba3  1  0.608  0.784  0.357  1.0
  Ba  Ba4  1  0.357  0.608  0.784  1.0
  Ba  Ba5  1  0.108  0.857  0.284  1.0
  Sr  Sr6  1  0.916  0.095  0.330  1.0
  Sr  Sr7  1  0.595  0.416  0.830  1.0
  Sr  Sr8  1  0.830  0.595  0.416  1.0
  Sr  Sr9  1  0.095  0.330  0.916  1.0
  Sr  Sr10  1  0.416  0.830  0.595  1.0
  Sr  Sr11  1  0.330  0.916  0.095  1.0
  I  I12  1  0.909  0.078  0.102  1.0
  I  I13  1  0.885  0.154  0.573  1.0
  I  I14  1  0.752  0.091  0.773  1.0
  I  I15  1  0.995  0.393  0.464  1.0
  I  I16  1  0.893  0.495  0.964  1.0
  I  I17  1  0.591  0.252  0.273  1.0
  I  I18  1  0.654  0.385  0.073  1.0
  I  I19  1  0.385  0.073  0.654  1.0
  I  I20  1  0.578  0.409  0.602  1.0
  I  I21  1  0.964  0.893  0.495  1.0
  I  I22  1  0.602  0.578  0.409  1.0
  I  I23  1  0.773  0.752  0.091  1.0
  I  I24  1  0.252  0.273  0.591  1.0
  I  I25  1  0.078  0.102  0.909  1.0
  I  I26  1  0.393  0.464  0.995  1.0
  I  I27  1  0.409  0.602  0.578  1.0
  I  I28  1  0.573  0.885  0.154  1.0
  I  I29  1  0.273  0.591  0.252  1.0
  I  I30  1  0.154  0.573  0.885  1.0
  I  I31  1  0.495  0.964  0.893  1.0
  I  I32  1  0.464  0.995  0.393  1.0
  I  I33  1  0.073  0.654  0.385  1.0
  I  I34  1  0.091  0.773  0.752  1.0
  I  I35  1  0.102  0.909  0.078  1.0
[/CIF]
.