The material described by BaYI5 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 9-coordinate geometry to one I(5), two equivalent I(1), two equivalent I(2), two equivalent I(3), and two equivalent I(4) atoms. Y(1) is bonded to one I(1), one I(2), one I(3), one I(4), and two equivalent I(5) atoms to form corner-sharing YI6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the fourth I site, I(4) is bonded in a distorted water-like geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth I site, I(5) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_BaYI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.789
_cell_length_b   8.587
_cell_length_c   18.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1268.749
_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  0.769  0.662  0.669  1.0
  Ba  Ba1  1  0.269  0.838  0.331  1.0
  Ba  Ba2  1  0.731  0.338  0.169  1.0
  Ba  Ba3  1  0.231  0.162  0.831  1.0
  Y  Y4  1  0.348  0.118  0.590  1.0
  Y  Y5  1  0.848  0.382  0.410  1.0
  Y  Y6  1  0.152  0.882  0.090  1.0
  Y  Y7  1  0.652  0.618  0.910  1.0
  I  I8  1  0.116  0.906  0.672  1.0
  I  I9  1  0.577  0.092  0.716  1.0
  I  I10  1  0.132  0.373  0.650  1.0
  I  I11  1  0.530  0.851  0.524  1.0
  I  I12  1  0.615  0.371  0.543  1.0
  I  I13  1  0.115  0.129  0.457  1.0
  I  I14  1  0.030  0.649  0.476  1.0
  I  I15  1  0.632  0.127  0.350  1.0
  I  I16  1  0.077  0.408  0.284  1.0
  I  I17  1  0.616  0.594  0.328  1.0
  I  I18  1  0.384  0.094  0.172  1.0
  I  I19  1  0.923  0.908  0.216  1.0
  I  I20  1  0.368  0.627  0.150  1.0
  I  I21  1  0.970  0.149  0.024  1.0
  I  I22  1  0.885  0.629  0.043  1.0
  I  I23  1  0.385  0.871  0.957  1.0
  I  I24  1  0.470  0.351  0.976  1.0
  I  I25  1  0.868  0.873  0.850  1.0
  I  I26  1  0.423  0.592  0.784  1.0
  I  I27  1  0.884  0.406  0.828  1.0
[/CIF]
.
The material described by BaYI5 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 9-coordinate geometry to one I(5), two equivalent I(1), two equivalent I(2), two equivalent I(3), and two equivalent I(4) atoms. Y(1) is bonded to one I(1), one I(2), one I(3), one I(4), and two equivalent I(5) atoms to form corner-sharing YI6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the fourth I site, I(4) is bonded in a distorted water-like geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth I site, I(5) is bonded in a trigonal planar geometry to one Ba(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_BaYI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.789
_cell_length_b   8.587
_cell_length_c   18.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1268.749
_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  0.769  0.662  0.669  1.0
  Ba  Ba1  1  0.269  0.838  0.331  1.0
  Ba  Ba2  1  0.731  0.338  0.169  1.0
  Ba  Ba3  1  0.231  0.162  0.831  1.0
  Y  Y4  1  0.348  0.118  0.590  1.0
  Y  Y5  1  0.848  0.382  0.410  1.0
  Y  Y6  1  0.152  0.882  0.090  1.0
  Y  Y7  1  0.652  0.618  0.910  1.0
  I  I8  1  0.116  0.906  0.672  1.0
  I  I9  1  0.577  0.092  0.716  1.0
  I  I10  1  0.132  0.373  0.650  1.0
  I  I11  1  0.530  0.851  0.524  1.0
  I  I12  1  0.615  0.371  0.543  1.0
  I  I13  1  0.115  0.129  0.457  1.0
  I  I14  1  0.030  0.649  0.476  1.0
  I  I15  1  0.632  0.127  0.350  1.0
  I  I16  1  0.077  0.408  0.284  1.0
  I  I17  1  0.616  0.594  0.328  1.0
  I  I18  1  0.384  0.094  0.172  1.0
  I  I19  1  0.923  0.908  0.216  1.0
  I  I20  1  0.368  0.627  0.150  1.0
  I  I21  1  0.970  0.149  0.024  1.0
  I  I22  1  0.885  0.629  0.043  1.0
  I  I23  1  0.385  0.871  0.957  1.0
  I  I24  1  0.470  0.351  0.976  1.0
  I  I25  1  0.868  0.873  0.850  1.0
  I  I26  1  0.423  0.592  0.784  1.0
  I  I27  1  0.884  0.406  0.828  1.0
[/CIF]
.