The structure described by Ba2YI7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one I(1), one I(2), one I(3), one I(4), one I(7), two equivalent I(5), and two equivalent I(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one I(1), one I(4), one I(5), one I(6), one I(7), two equivalent I(2), and two equivalent I(3) atoms. Y(1) is bonded in a distorted pentagonal bipyramidal geometry to one I(1), one I(2), one I(3), one I(4), one I(5), one I(6), and one I(7) atom. There are seven 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 to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of edge and corner-sharing IBa3Y tetrahedra. In the third I site, I(3) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of edge and corner-sharing IBa3Y tetrahedra. In the fourth I site, I(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth I site, I(5) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of edge and corner-sharing IBa3Y tetrahedra. In the sixth I site, I(6) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of edge and corner-sharing IBa3Y tetrahedra. In the seventh I site, I(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the CIF card [CIF]
data_Ba2YI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.868
_cell_length_b   7.895
_cell_length_c   12.128
_cell_angle_alpha   89.426
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1710.659
_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  0.221  0.731  0.048  1.0
  Ba  Ba1  1  0.560  0.730  0.176  1.0
  Ba  Ba2  1  0.060  0.270  0.324  1.0
  Ba  Ba3  1  0.721  0.269  0.452  1.0
  Ba  Ba4  1  0.279  0.731  0.548  1.0
  Ba  Ba5  1  0.940  0.730  0.676  1.0
  Ba  Ba6  1  0.440  0.270  0.824  1.0
  Ba  Ba7  1  0.779  0.269  0.952  1.0
  Y  Y8  1  0.872  0.784  0.219  1.0
  Y  Y9  1  0.372  0.216  0.281  1.0
  Y  Y10  1  0.628  0.784  0.719  1.0
  Y  Y11  1  0.128  0.216  0.781  1.0
  I  I12  1  0.140  0.296  0.029  1.0
  I  I13  1  0.397  0.998  0.068  1.0
  I  I14  1  0.395  0.490  0.083  1.0
  I  I15  1  0.930  0.132  0.121  1.0
  I  I16  1  0.741  0.507  0.199  1.0
  I  I17  1  0.725  1.000  0.207  1.0
  I  I18  1  0.041  0.701  0.214  1.0
  I  I19  1  0.541  0.299  0.286  1.0
  I  I20  1  0.225  0.000  0.293  1.0
  I  I21  1  0.241  0.493  0.301  1.0
  I  I22  1  0.430  0.868  0.379  1.0
  I  I23  1  0.895  0.510  0.417  1.0
  I  I24  1  0.897  0.002  0.432  1.0
  I  I25  1  0.640  0.704  0.471  1.0
  I  I26  1  0.360  0.296  0.529  1.0
  I  I27  1  0.103  0.998  0.568  1.0
  I  I28  1  0.105  0.490  0.583  1.0
  I  I29  1  0.570  0.132  0.621  1.0
  I  I30  1  0.759  0.507  0.699  1.0
  I  I31  1  0.775  1.000  0.707  1.0
  I  I32  1  0.459  0.701  0.714  1.0
  I  I33  1  0.959  0.299  0.786  1.0
  I  I34  1  0.275  0.000  0.793  1.0
  I  I35  1  0.259  0.493  0.801  1.0
  I  I36  1  0.070  0.868  0.879  1.0
  I  I37  1  0.605  0.510  0.917  1.0
  I  I38  1  0.603  0.002  0.932  1.0
  I  I39  1  0.860  0.704  0.971  1.0
[/CIF]
.
The structure described by Ba2YI7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one I(1), one I(2), one I(3), one I(4), one I(7), two equivalent I(5), and two equivalent I(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one I(1), one I(4), one I(5), one I(6), one I(7), two equivalent I(2), and two equivalent I(3) atoms. Y(1) is bonded in a distorted pentagonal bipyramidal geometry to one I(1), one I(2), one I(3), one I(4), one I(5), one I(6), and one I(7) atom. There are seven 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 to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of edge and corner-sharing IBa3Y tetrahedra. In the third I site, I(3) is bonded to one Ba(1), two equivalent Ba(2), and one Y(1) atom to form a mixture of edge and corner-sharing IBa3Y tetrahedra. In the fourth I site, I(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth I site, I(5) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of edge and corner-sharing IBa3Y tetrahedra. In the sixth I site, I(6) is bonded to one Ba(2), two equivalent Ba(1), and one Y(1) atom to form a mixture of edge and corner-sharing IBa3Y tetrahedra. In the seventh I site, I(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the CIF card [CIF]
data_Ba2YI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.868
_cell_length_b   7.895
_cell_length_c   12.128
_cell_angle_alpha   89.426
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1710.659
_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  0.221  0.731  0.048  1.0
  Ba  Ba1  1  0.560  0.730  0.176  1.0
  Ba  Ba2  1  0.060  0.270  0.324  1.0
  Ba  Ba3  1  0.721  0.269  0.452  1.0
  Ba  Ba4  1  0.279  0.731  0.548  1.0
  Ba  Ba5  1  0.940  0.730  0.676  1.0
  Ba  Ba6  1  0.440  0.270  0.824  1.0
  Ba  Ba7  1  0.779  0.269  0.952  1.0
  Y  Y8  1  0.872  0.784  0.219  1.0
  Y  Y9  1  0.372  0.216  0.281  1.0
  Y  Y10  1  0.628  0.784  0.719  1.0
  Y  Y11  1  0.128  0.216  0.781  1.0
  I  I12  1  0.140  0.296  0.029  1.0
  I  I13  1  0.397  0.998  0.068  1.0
  I  I14  1  0.395  0.490  0.083  1.0
  I  I15  1  0.930  0.132  0.121  1.0
  I  I16  1  0.741  0.507  0.199  1.0
  I  I17  1  0.725  1.000  0.207  1.0
  I  I18  1  0.041  0.701  0.214  1.0
  I  I19  1  0.541  0.299  0.286  1.0
  I  I20  1  0.225  0.000  0.293  1.0
  I  I21  1  0.241  0.493  0.301  1.0
  I  I22  1  0.430  0.868  0.379  1.0
  I  I23  1  0.895  0.510  0.417  1.0
  I  I24  1  0.897  0.002  0.432  1.0
  I  I25  1  0.640  0.704  0.471  1.0
  I  I26  1  0.360  0.296  0.529  1.0
  I  I27  1  0.103  0.998  0.568  1.0
  I  I28  1  0.105  0.490  0.583  1.0
  I  I29  1  0.570  0.132  0.621  1.0
  I  I30  1  0.759  0.507  0.699  1.0
  I  I31  1  0.775  1.000  0.707  1.0
  I  I32  1  0.459  0.701  0.714  1.0
  I  I33  1  0.959  0.299  0.786  1.0
  I  I34  1  0.275  0.000  0.793  1.0
  I  I35  1  0.259  0.493  0.801  1.0
  I  I36  1  0.070  0.868  0.879  1.0
  I  I37  1  0.605  0.510  0.917  1.0
  I  I38  1  0.603  0.002  0.932  1.0
  I  I39  1  0.860  0.704  0.971  1.0
[/CIF]
.