The compound described by BaYI5 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(2), one I(3), one I(4), one I(5), one I(6), and one I(7) atom. In the second Ba site, Ba(2) is bonded to one I(1), one I(2), one I(4), one I(5), one I(6), one I(8), and one I(9) atom to form distorted BaI7 hexagonal pyramids that share corners with three equivalent Y(1)I6 octahedra, corners with three equivalent Y(2)I6 octahedra, and  an edgeedge with one Y(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 48-67°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one I(1), one I(2), one I(3), one I(4), one I(6), and one I(8) atom to form YI6 octahedra that share corners with three equivalent Ba(2)I7 hexagonal pyramids, corners with two equivalent Y(2)I6 octahedra, and  an edgeedge with one Ba(2)I7 hexagonal pyramid. The corner-sharing octahedral tilt angles range from 61-67°. In the second Y site, Y(2) is bonded to one I(10), one I(3), one I(5), one I(7), one I(8), and one I(9) atom to form YI6 octahedra that share corners with three equivalent Ba(2)I7 hexagonal pyramids and corners with two equivalent Y(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. There are ten inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second I site, I(2) is bonded in a distorted L-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third I site, I(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Y(1), and one Y(2) atom. In the fourth I site, I(4) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth I site, I(5) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Y(2) atom. In the sixth I site, I(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh I site, I(7) is bonded in a bent 150 degrees geometry to one Ba(1) and one Y(2) atom. In the eighth I site, I(8) is bonded in a trigonal planar geometry to one Ba(2), one Y(1), and one Y(2) atom. In the ninth I site, I(9) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one Y(2) atom. In the tenth I site, I(10) is bonded in a bent 120 degrees geometry to one Ba(1) and one Y(2) atom. is represented by the CIF file [CIF]
data_BaYI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.585
_cell_length_b   8.202
_cell_length_c   11.028
_cell_angle_alpha   85.091
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1314.323
_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  0.043  0.055  0.822  1.0
  Ba  Ba1  1  0.377  0.402  0.627  1.0
  Ba  Ba2  1  0.877  0.598  0.373  1.0
  Ba  Ba3  1  0.543  0.945  0.178  1.0
  Y  Y4  1  0.623  0.001  0.595  1.0
  Y  Y5  1  0.232  0.505  0.127  1.0
  Y  Y6  1  0.732  0.495  0.873  1.0
  Y  Y7  1  0.123  0.999  0.405  1.0
  I  I8  1  0.758  0.976  0.387  1.0
  I  I9  1  0.499  0.078  0.800  1.0
  I  I10  1  0.278  0.147  0.238  1.0
  I  I11  1  0.520  0.236  0.413  1.0
  I  I12  1  0.229  0.324  0.887  1.0
  I  I13  1  0.019  0.259  0.532  1.0
  I  I14  1  0.710  0.201  0.046  1.0
  I  I15  1  0.735  0.340  0.622  1.0
  I  I16  1  0.038  0.418  0.190  1.0
  I  I17  1  0.934  0.433  0.863  1.0
  I  I18  1  0.434  0.567  0.137  1.0
  I  I19  1  0.538  0.582  0.810  1.0
  I  I20  1  0.235  0.660  0.378  1.0
  I  I21  1  0.210  0.799  0.954  1.0
  I  I22  1  0.519  0.741  0.468  1.0
  I  I23  1  0.729  0.676  0.113  1.0
  I  I24  1  0.020  0.764  0.587  1.0
  I  I25  1  0.778  0.853  0.762  1.0
  I  I26  1  0.999  0.922  0.200  1.0
  I  I27  1  0.258  0.024  0.613  1.0
[/CIF]
.
The compound described by BaYI5 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(2), one I(3), one I(4), one I(5), one I(6), and one I(7) atom. In the second Ba site, Ba(2) is bonded to one I(1), one I(2), one I(4), one I(5), one I(6), one I(8), and one I(9) atom to form distorted BaI7 hexagonal pyramids that share corners with three equivalent Y(1)I6 octahedra, corners with three equivalent Y(2)I6 octahedra, and  an edgeedge with one Y(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 48-67°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one I(1), one I(2), one I(3), one I(4), one I(6), and one I(8) atom to form YI6 octahedra that share corners with three equivalent Ba(2)I7 hexagonal pyramids, corners with two equivalent Y(2)I6 octahedra, and  an edgeedge with one Ba(2)I7 hexagonal pyramid. The corner-sharing octahedral tilt angles range from 61-67°. In the second Y site, Y(2) is bonded to one I(10), one I(3), one I(5), one I(7), one I(8), and one I(9) atom to form YI6 octahedra that share corners with three equivalent Ba(2)I7 hexagonal pyramids and corners with two equivalent Y(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. There are ten inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second I site, I(2) is bonded in a distorted L-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third I site, I(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Y(1), and one Y(2) atom. In the fourth I site, I(4) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth I site, I(5) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Y(2) atom. In the sixth I site, I(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh I site, I(7) is bonded in a bent 150 degrees geometry to one Ba(1) and one Y(2) atom. In the eighth I site, I(8) is bonded in a trigonal planar geometry to one Ba(2), one Y(1), and one Y(2) atom. In the ninth I site, I(9) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one Y(2) atom. In the tenth I site, I(10) is bonded in a bent 120 degrees geometry to one Ba(1) and one Y(2) atom. is represented by the CIF file [CIF]
data_BaYI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.585
_cell_length_b   8.202
_cell_length_c   11.028
_cell_angle_alpha   85.091
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1314.323
_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  0.043  0.055  0.822  1.0
  Ba  Ba1  1  0.377  0.402  0.627  1.0
  Ba  Ba2  1  0.877  0.598  0.373  1.0
  Ba  Ba3  1  0.543  0.945  0.178  1.0
  Y  Y4  1  0.623  0.001  0.595  1.0
  Y  Y5  1  0.232  0.505  0.127  1.0
  Y  Y6  1  0.732  0.495  0.873  1.0
  Y  Y7  1  0.123  0.999  0.405  1.0
  I  I8  1  0.758  0.976  0.387  1.0
  I  I9  1  0.499  0.078  0.800  1.0
  I  I10  1  0.278  0.147  0.238  1.0
  I  I11  1  0.520  0.236  0.413  1.0
  I  I12  1  0.229  0.324  0.887  1.0
  I  I13  1  0.019  0.259  0.532  1.0
  I  I14  1  0.710  0.201  0.046  1.0
  I  I15  1  0.735  0.340  0.622  1.0
  I  I16  1  0.038  0.418  0.190  1.0
  I  I17  1  0.934  0.433  0.863  1.0
  I  I18  1  0.434  0.567  0.137  1.0
  I  I19  1  0.538  0.582  0.810  1.0
  I  I20  1  0.235  0.660  0.378  1.0
  I  I21  1  0.210  0.799  0.954  1.0
  I  I22  1  0.519  0.741  0.468  1.0
  I  I23  1  0.729  0.676  0.113  1.0
  I  I24  1  0.020  0.764  0.587  1.0
  I  I25  1  0.778  0.853  0.762  1.0
  I  I26  1  0.999  0.922  0.200  1.0
  I  I27  1  0.258  0.024  0.613  1.0
[/CIF]
.