The compound described by BaSrI4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnna space group. Ba(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form distorted BaI6 pentagonal pyramids that share corners with eight equivalent Sr(1)I6 octahedra and edges with two equivalent Ba(1)I6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 32-69°. 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 pentagonal pyramids and edges with two equivalent Sr(1)I6 octahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar 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 one Ba(1) and two equivalent Sr(1) atoms. is represented by the CIF file [CIF]
data_BaSrI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.372
_cell_length_b   10.778
_cell_length_c   10.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1225.164
_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  0.750  0.197  0.750  1.0
  Ba  Ba1  1  0.250  0.303  0.750  1.0
  Ba  Ba2  1  0.750  0.697  0.250  1.0
  Ba  Ba3  1  0.250  0.803  0.250  1.0
  Sr  Sr4  1  0.000  0.250  0.264  1.0
  Sr  Sr5  1  0.500  0.250  0.236  1.0
  Sr  Sr6  1  0.000  0.750  0.736  1.0
  Sr  Sr7  1  0.500  0.750  0.764  1.0
  I  I8  1  0.039  0.050  0.728  1.0
  I  I9  1  0.461  0.050  0.772  1.0
  I  I10  1  0.236  0.208  0.061  1.0
  I  I11  1  0.264  0.208  0.439  1.0
  I  I12  1  0.764  0.292  0.061  1.0
  I  I13  1  0.736  0.292  0.439  1.0
  I  I14  1  0.539  0.450  0.772  1.0
  I  I15  1  0.961  0.450  0.728  1.0
  I  I16  1  0.039  0.550  0.272  1.0
  I  I17  1  0.461  0.550  0.228  1.0
  I  I18  1  0.264  0.708  0.561  1.0
  I  I19  1  0.236  0.708  0.939  1.0
  I  I20  1  0.736  0.792  0.561  1.0
  I  I21  1  0.764  0.792  0.939  1.0
  I  I22  1  0.539  0.950  0.228  1.0
  I  I23  1  0.961  0.950  0.272  1.0
[/CIF]
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The compound described by BaSrI4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnna space group. Ba(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form distorted BaI6 pentagonal pyramids that share corners with eight equivalent Sr(1)I6 octahedra and edges with two equivalent Ba(1)I6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 32-69°. 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 pentagonal pyramids and edges with two equivalent Sr(1)I6 octahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar 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 one Ba(1) and two equivalent Sr(1) atoms. is represented by the CIF file [CIF]
data_BaSrI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.372
_cell_length_b   10.778
_cell_length_c   10.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1225.164
_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  0.750  0.197  0.750  1.0
  Ba  Ba1  1  0.250  0.303  0.750  1.0
  Ba  Ba2  1  0.750  0.697  0.250  1.0
  Ba  Ba3  1  0.250  0.803  0.250  1.0
  Sr  Sr4  1  0.000  0.250  0.264  1.0
  Sr  Sr5  1  0.500  0.250  0.236  1.0
  Sr  Sr6  1  0.000  0.750  0.736  1.0
  Sr  Sr7  1  0.500  0.750  0.764  1.0
  I  I8  1  0.039  0.050  0.728  1.0
  I  I9  1  0.461  0.050  0.772  1.0
  I  I10  1  0.236  0.208  0.061  1.0
  I  I11  1  0.264  0.208  0.439  1.0
  I  I12  1  0.764  0.292  0.061  1.0
  I  I13  1  0.736  0.292  0.439  1.0
  I  I14  1  0.539  0.450  0.772  1.0
  I  I15  1  0.961  0.450  0.728  1.0
  I  I16  1  0.039  0.550  0.272  1.0
  I  I17  1  0.461  0.550  0.228  1.0
  I  I18  1  0.264  0.708  0.561  1.0
  I  I19  1  0.236  0.708  0.939  1.0
  I  I20  1  0.736  0.792  0.561  1.0
  I  I21  1  0.764  0.792  0.939  1.0
  I  I22  1  0.539  0.950  0.228  1.0
  I  I23  1  0.961  0.950  0.272  1.0
[/CIF]
.