The crystal structure described by BaSrI4 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded to one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms to form distorted BaI6 octahedra that share corners with five equivalent Sr(1)I6 octahedra, edges with two equivalent Ba(1)I6 octahedra, and edges with two equivalent Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 39-68°. Sr(1) is bonded to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms to form distorted SrI6 octahedra that share corners with four equivalent Sr(1)I6 octahedra, corners with five equivalent Ba(1)I6 octahedra, and edges with two equivalent Ba(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 36-68°. There are four inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Sr(1) atoms. In the second I site, I(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(1) and one Sr(1) atom. In the third I site, I(3) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form corner-sharing IBa2Sr2 tetrahedra. In the fourth I site, I(4) is bonded in a bent 150 degrees geometry to one Ba(1) and one Sr(1) atom. is represented by the CIF card [CIF]
data_BaSrI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.979
_cell_length_b   6.082
_cell_length_c   10.098
_cell_angle_alpha   89.983
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1288.406
_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  0.865  0.185  0.755  1.0
  Ba  Ba1  1  0.635  0.185  0.255  1.0
  Ba  Ba2  1  0.365  0.815  0.745  1.0
  Ba  Ba3  1  0.135  0.815  0.245  1.0
  Sr  Sr4  1  0.154  0.295  0.755  1.0
  Sr  Sr5  1  0.346  0.295  0.255  1.0
  Sr  Sr6  1  0.654  0.705  0.745  1.0
  Sr  Sr7  1  0.846  0.705  0.245  1.0
  I  I8  1  0.698  0.205  0.782  1.0
  I  I9  1  0.398  0.308  0.560  1.0
  I  I10  1  0.305  0.301  0.917  1.0
  I  I11  1  0.802  0.205  0.282  1.0
  I  I12  1  0.013  0.255  0.648  1.0
  I  I13  1  0.102  0.308  0.060  1.0
  I  I14  1  0.195  0.301  0.417  1.0
  I  I15  1  0.487  0.255  0.148  1.0
  I  I16  1  0.513  0.745  0.852  1.0
  I  I17  1  0.805  0.699  0.583  1.0
  I  I18  1  0.898  0.692  0.940  1.0
  I  I19  1  0.987  0.745  0.352  1.0
  I  I20  1  0.198  0.795  0.718  1.0
  I  I21  1  0.695  0.699  0.083  1.0
  I  I22  1  0.602  0.692  0.440  1.0
  I  I23  1  0.302  0.795  0.218  1.0
[/CIF]
.
The crystal structure described by BaSrI4 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded to one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms to form distorted BaI6 octahedra that share corners with five equivalent Sr(1)I6 octahedra, edges with two equivalent Ba(1)I6 octahedra, and edges with two equivalent Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 39-68°. Sr(1) is bonded to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms to form distorted SrI6 octahedra that share corners with four equivalent Sr(1)I6 octahedra, corners with five equivalent Ba(1)I6 octahedra, and edges with two equivalent Ba(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 36-68°. There are four inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Sr(1) atoms. In the second I site, I(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(1) and one Sr(1) atom. In the third I site, I(3) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form corner-sharing IBa2Sr2 tetrahedra. In the fourth I site, I(4) is bonded in a bent 150 degrees geometry to one Ba(1) and one Sr(1) atom. is represented by the CIF card [CIF]
data_BaSrI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.979
_cell_length_b   6.082
_cell_length_c   10.098
_cell_angle_alpha   89.983
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1288.406
_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  0.865  0.185  0.755  1.0
  Ba  Ba1  1  0.635  0.185  0.255  1.0
  Ba  Ba2  1  0.365  0.815  0.745  1.0
  Ba  Ba3  1  0.135  0.815  0.245  1.0
  Sr  Sr4  1  0.154  0.295  0.755  1.0
  Sr  Sr5  1  0.346  0.295  0.255  1.0
  Sr  Sr6  1  0.654  0.705  0.745  1.0
  Sr  Sr7  1  0.846  0.705  0.245  1.0
  I  I8  1  0.698  0.205  0.782  1.0
  I  I9  1  0.398  0.308  0.560  1.0
  I  I10  1  0.305  0.301  0.917  1.0
  I  I11  1  0.802  0.205  0.282  1.0
  I  I12  1  0.013  0.255  0.648  1.0
  I  I13  1  0.102  0.308  0.060  1.0
  I  I14  1  0.195  0.301  0.417  1.0
  I  I15  1  0.487  0.255  0.148  1.0
  I  I16  1  0.513  0.745  0.852  1.0
  I  I17  1  0.805  0.699  0.583  1.0
  I  I18  1  0.898  0.692  0.940  1.0
  I  I19  1  0.987  0.745  0.352  1.0
  I  I20  1  0.198  0.795  0.718  1.0
  I  I21  1  0.695  0.699  0.083  1.0
  I  I22  1  0.602  0.692  0.440  1.0
  I  I23  1  0.302  0.795  0.218  1.0
[/CIF]
.