The crystal structure described by Ba2YI7 crystallizes in the monoclinic C2/c 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(3), one I(4), one I(5), one I(6), one I(7), and two equivalent I(2) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), and three equivalent I(7) atoms. 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(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second I site, I(7) is bonded to one Ba(1) and three equivalent Ba(2) atoms to form a mixture of distorted edge and corner-sharing IBa4 tetrahedra. In the third 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 fourth I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth I site, I(3) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the sixth I site, I(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh I site, I(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the CIF file [CIF]
data_Ba2YI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.083
_cell_length_b   13.083
_cell_length_c   13.590
_cell_angle_alpha   63.927
_cell_angle_beta   63.927
_cell_angle_gamma   67.785
_symmetry_Int_Tables_number   1
_cell_volume   1826.916
_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  0.257  0.896  0.453  1.0
  Ba  Ba1  1  0.321  0.441  0.478  1.0
  Ba  Ba2  1  0.441  0.321  0.978  1.0
  Ba  Ba3  1  0.104  0.743  0.047  1.0
  Ba  Ba4  1  0.896  0.257  0.953  1.0
  Ba  Ba5  1  0.559  0.679  0.022  1.0
  Ba  Ba6  1  0.679  0.559  0.522  1.0
  Ba  Ba7  1  0.743  0.104  0.547  1.0
  Y  Y8  1  0.013  0.331  0.328  1.0
  Y  Y9  1  0.669  0.987  0.172  1.0
  Y  Y10  1  0.331  0.013  0.828  1.0
  Y  Y11  1  0.987  0.669  0.672  1.0
  I  I12  1  0.226  0.620  0.694  1.0
  I  I13  1  0.093  0.037  0.822  1.0
  I  I14  1  0.035  0.424  0.661  1.0
  I  I15  1  0.448  0.132  0.569  1.0
  I  I16  1  0.226  0.222  0.402  1.0
  I  I17  1  0.424  0.035  0.161  1.0
  I  I18  1  0.132  0.448  0.069  1.0
  I  I19  1  0.778  0.774  0.098  1.0
  I  I20  1  0.128  0.727  0.415  1.0
  I  I21  1  0.620  0.226  0.194  1.0
  I  I22  1  0.727  0.128  0.915  1.0
  I  I23  1  0.351  0.517  0.163  1.0
  I  I24  1  0.963  0.907  0.678  1.0
  I  I25  1  0.517  0.351  0.663  1.0
  I  I26  1  0.483  0.649  0.337  1.0
  I  I27  1  0.037  0.093  0.322  1.0
  I  I28  1  0.649  0.483  0.837  1.0
  I  I29  1  0.273  0.872  0.085  1.0
  I  I30  1  0.380  0.774  0.806  1.0
  I  I31  1  0.872  0.273  0.585  1.0
  I  I32  1  0.222  0.226  0.902  1.0
  I  I33  1  0.868  0.552  0.931  1.0
  I  I34  1  0.576  0.965  0.839  1.0
  I  I35  1  0.774  0.778  0.598  1.0
  I  I36  1  0.552  0.868  0.431  1.0
  I  I37  1  0.965  0.576  0.339  1.0
  I  I38  1  0.907  0.963  0.178  1.0
  I  I39  1  0.774  0.380  0.306  1.0
[/CIF]
.
The crystal structure described by Ba2YI7 crystallizes in the monoclinic C2/c 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(3), one I(4), one I(5), one I(6), one I(7), and two equivalent I(2) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), and three equivalent I(7) atoms. 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(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second I site, I(7) is bonded to one Ba(1) and three equivalent Ba(2) atoms to form a mixture of distorted edge and corner-sharing IBa4 tetrahedra. In the third 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 fourth I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth I site, I(3) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the sixth I site, I(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh I site, I(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the CIF file [CIF]
data_Ba2YI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.083
_cell_length_b   13.083
_cell_length_c   13.590
_cell_angle_alpha   63.927
_cell_angle_beta   63.927
_cell_angle_gamma   67.785
_symmetry_Int_Tables_number   1
_cell_volume   1826.916
_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  0.257  0.896  0.453  1.0
  Ba  Ba1  1  0.321  0.441  0.478  1.0
  Ba  Ba2  1  0.441  0.321  0.978  1.0
  Ba  Ba3  1  0.104  0.743  0.047  1.0
  Ba  Ba4  1  0.896  0.257  0.953  1.0
  Ba  Ba5  1  0.559  0.679  0.022  1.0
  Ba  Ba6  1  0.679  0.559  0.522  1.0
  Ba  Ba7  1  0.743  0.104  0.547  1.0
  Y  Y8  1  0.013  0.331  0.328  1.0
  Y  Y9  1  0.669  0.987  0.172  1.0
  Y  Y10  1  0.331  0.013  0.828  1.0
  Y  Y11  1  0.987  0.669  0.672  1.0
  I  I12  1  0.226  0.620  0.694  1.0
  I  I13  1  0.093  0.037  0.822  1.0
  I  I14  1  0.035  0.424  0.661  1.0
  I  I15  1  0.448  0.132  0.569  1.0
  I  I16  1  0.226  0.222  0.402  1.0
  I  I17  1  0.424  0.035  0.161  1.0
  I  I18  1  0.132  0.448  0.069  1.0
  I  I19  1  0.778  0.774  0.098  1.0
  I  I20  1  0.128  0.727  0.415  1.0
  I  I21  1  0.620  0.226  0.194  1.0
  I  I22  1  0.727  0.128  0.915  1.0
  I  I23  1  0.351  0.517  0.163  1.0
  I  I24  1  0.963  0.907  0.678  1.0
  I  I25  1  0.517  0.351  0.663  1.0
  I  I26  1  0.483  0.649  0.337  1.0
  I  I27  1  0.037  0.093  0.322  1.0
  I  I28  1  0.649  0.483  0.837  1.0
  I  I29  1  0.273  0.872  0.085  1.0
  I  I30  1  0.380  0.774  0.806  1.0
  I  I31  1  0.872  0.273  0.585  1.0
  I  I32  1  0.222  0.226  0.902  1.0
  I  I33  1  0.868  0.552  0.931  1.0
  I  I34  1  0.576  0.965  0.839  1.0
  I  I35  1  0.774  0.778  0.598  1.0
  I  I36  1  0.552  0.868  0.431  1.0
  I  I37  1  0.965  0.576  0.339  1.0
  I  I38  1  0.907  0.963  0.178  1.0
  I  I39  1  0.774  0.380  0.306  1.0
[/CIF]
.