The material 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 6-coordinate geometry to one I(1), one I(3), one I(4), one I(7), and two equivalent I(6) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one I(1), one I(2), one I(3), one I(5), one I(6), and one I(7) atom. Y(1) is bonded in an octahedral geometry to one I(1), one I(2), one I(3), one I(4), one I(5), and one I(6) 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 in an L-shaped geometry to one Ba(2) and one Y(1) atom. In the third I site, I(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth I site, I(4) is bonded in an L-shaped geometry to one Ba(1) and one Y(1) atom. In the fifth I site, I(5) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(1) atom. In the sixth I site, I(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), two equivalent Ba(1), 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 Ba(2) atom. is represented by the CIF card [CIF]
data_Ba2YI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.834
_cell_length_b   8.387
_cell_length_c   15.630
_cell_angle_alpha   60.848
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2156.127
_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  0.974  0.009  0.313  1.0
  Ba  Ba1  1  0.730  0.789  0.468  1.0
  Ba  Ba2  1  0.230  0.211  0.032  1.0
  Ba  Ba3  1  0.474  0.991  0.187  1.0
  Ba  Ba4  1  0.526  0.009  0.813  1.0
  Ba  Ba5  1  0.770  0.789  0.968  1.0
  Ba  Ba6  1  0.270  0.211  0.532  1.0
  Ba  Ba7  1  0.026  0.991  0.687  1.0
  Y  Y8  1  0.659  0.418  0.851  1.0
  Y  Y9  1  0.159  0.582  0.649  1.0
  Y  Y10  1  0.841  0.418  0.351  1.0
  Y  Y11  1  0.341  0.582  0.149  1.0
  I  I12  1  0.790  0.194  0.257  1.0
  I  I13  1  0.801  0.404  0.941  1.0
  I  I14  1  0.396  0.415  0.025  1.0
  I  I15  1  0.015  0.551  0.738  1.0
  I  I16  1  0.689  0.793  0.684  1.0
  I  I17  1  0.116  0.967  0.479  1.0
  I  I18  1  0.567  0.931  0.381  1.0
  I  I19  1  0.067  0.069  0.119  1.0
  I  I20  1  0.616  0.033  0.021  1.0
  I  I21  1  0.189  0.207  0.816  1.0
  I  I22  1  0.896  0.585  0.475  1.0
  I  I23  1  0.515  0.449  0.762  1.0
  I  I24  1  0.290  0.806  0.243  1.0
  I  I25  1  0.301  0.596  0.559  1.0
  I  I26  1  0.699  0.404  0.441  1.0
  I  I27  1  0.710  0.194  0.757  1.0
  I  I28  1  0.485  0.551  0.238  1.0
  I  I29  1  0.104  0.415  0.525  1.0
  I  I30  1  0.811  0.793  0.184  1.0
  I  I31  1  0.384  0.967  0.979  1.0
  I  I32  1  0.933  0.931  0.881  1.0
  I  I33  1  0.433  0.069  0.619  1.0
  I  I34  1  0.884  0.033  0.521  1.0
  I  I35  1  0.311  0.207  0.316  1.0
  I  I36  1  0.985  0.449  0.262  1.0
  I  I37  1  0.604  0.585  0.975  1.0
  I  I38  1  0.199  0.596  0.059  1.0
  I  I39  1  0.210  0.806  0.743  1.0
[/CIF]
.
The material 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 6-coordinate geometry to one I(1), one I(3), one I(4), one I(7), and two equivalent I(6) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one I(1), one I(2), one I(3), one I(5), one I(6), and one I(7) atom. Y(1) is bonded in an octahedral geometry to one I(1), one I(2), one I(3), one I(4), one I(5), and one I(6) 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 in an L-shaped geometry to one Ba(2) and one Y(1) atom. In the third I site, I(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fourth I site, I(4) is bonded in an L-shaped geometry to one Ba(1) and one Y(1) atom. In the fifth I site, I(5) is bonded in a bent 120 degrees geometry to one Ba(2) and one Y(1) atom. In the sixth I site, I(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), two equivalent Ba(1), 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 Ba(2) atom. is represented by the CIF card [CIF]
data_Ba2YI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.834
_cell_length_b   8.387
_cell_length_c   15.630
_cell_angle_alpha   60.848
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2156.127
_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  0.974  0.009  0.313  1.0
  Ba  Ba1  1  0.730  0.789  0.468  1.0
  Ba  Ba2  1  0.230  0.211  0.032  1.0
  Ba  Ba3  1  0.474  0.991  0.187  1.0
  Ba  Ba4  1  0.526  0.009  0.813  1.0
  Ba  Ba5  1  0.770  0.789  0.968  1.0
  Ba  Ba6  1  0.270  0.211  0.532  1.0
  Ba  Ba7  1  0.026  0.991  0.687  1.0
  Y  Y8  1  0.659  0.418  0.851  1.0
  Y  Y9  1  0.159  0.582  0.649  1.0
  Y  Y10  1  0.841  0.418  0.351  1.0
  Y  Y11  1  0.341  0.582  0.149  1.0
  I  I12  1  0.790  0.194  0.257  1.0
  I  I13  1  0.801  0.404  0.941  1.0
  I  I14  1  0.396  0.415  0.025  1.0
  I  I15  1  0.015  0.551  0.738  1.0
  I  I16  1  0.689  0.793  0.684  1.0
  I  I17  1  0.116  0.967  0.479  1.0
  I  I18  1  0.567  0.931  0.381  1.0
  I  I19  1  0.067  0.069  0.119  1.0
  I  I20  1  0.616  0.033  0.021  1.0
  I  I21  1  0.189  0.207  0.816  1.0
  I  I22  1  0.896  0.585  0.475  1.0
  I  I23  1  0.515  0.449  0.762  1.0
  I  I24  1  0.290  0.806  0.243  1.0
  I  I25  1  0.301  0.596  0.559  1.0
  I  I26  1  0.699  0.404  0.441  1.0
  I  I27  1  0.710  0.194  0.757  1.0
  I  I28  1  0.485  0.551  0.238  1.0
  I  I29  1  0.104  0.415  0.525  1.0
  I  I30  1  0.811  0.793  0.184  1.0
  I  I31  1  0.384  0.967  0.979  1.0
  I  I32  1  0.933  0.931  0.881  1.0
  I  I33  1  0.433  0.069  0.619  1.0
  I  I34  1  0.884  0.033  0.521  1.0
  I  I35  1  0.311  0.207  0.316  1.0
  I  I36  1  0.985  0.449  0.262  1.0
  I  I37  1  0.604  0.585  0.975  1.0
  I  I38  1  0.199  0.596  0.059  1.0
  I  I39  1  0.210  0.806  0.743  1.0
[/CIF]
.