The crystal structure described by Ba2YI7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one I(1), one I(11), one I(12), one I(14), one I(2), one I(3), one I(8), and one I(9) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(10), one I(13), one I(3), one I(4), one I(5), one I(6), one I(7), and one I(9) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(14), one I(2), one I(4), one I(6), one I(8), and one I(9) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(11), one I(12), one I(13), one I(2), one I(5), and one I(7) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one I(11), one I(13), one I(3), one I(5), one I(6), and one I(7) atom. In the second Y site, Y(2) is bonded in an octahedral geometry to one I(1), one I(12), one I(14), one I(2), one I(4), and one I(8) atom. There are fourteen inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the third I site, I(3) 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(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the sixth I site, I(6) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh I site, I(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the eighth I site, I(8) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one Y(2) atom. In the ninth I site, I(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth I site, I(10) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh I site, I(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one Y(1) atom. In the twelfth I site, I(12) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one Y(2) atom. In the thirteenth I site, I(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth I site, I(14) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.184
_cell_length_b   8.347
_cell_length_c   14.876
_cell_angle_alpha   78.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1848.548
_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  0.545  0.771  0.766  1.0
  Ba  Ba1  1  0.129  0.754  0.642  1.0
  Ba  Ba2  1  0.795  0.770  0.144  1.0
  Ba  Ba3  1  0.361  0.666  0.250  1.0
  Ba  Ba4  1  0.861  0.334  0.750  1.0
  Ba  Ba5  1  0.295  0.230  0.856  1.0
  Ba  Ba6  1  0.629  0.246  0.358  1.0
  Ba  Ba7  1  0.045  0.229  0.234  1.0
  Y  Y8  1  0.844  0.834  0.552  1.0
  Y  Y9  1  0.077  0.817  0.052  1.0
  Y  Y10  1  0.577  0.183  0.948  1.0
  Y  Y11  1  0.344  0.166  0.448  1.0
  I  I12  1  0.713  0.949  0.895  1.0
  I  I13  1  0.438  0.917  0.993  1.0
  I  I14  1  0.500  0.949  0.514  1.0
  I  I15  1  0.160  0.873  0.865  1.0
  I  I16  1  0.240  0.873  0.409  1.0
  I  I17  1  0.757  0.873  0.366  1.0
  I  I18  1  0.916  0.791  0.746  1.0
  I  I19  1  0.009  0.798  0.250  1.0
  I  I20  1  0.340  0.615  0.713  1.0
  I  I21  1  0.585  0.616  0.207  1.0
  I  I22  1  0.693  0.598  0.621  1.0
  I  I23  1  0.705  0.468  0.894  1.0
  I  I24  1  0.956  0.535  0.537  1.0
  I  I25  1  0.448  0.444  0.970  1.0
  I  I26  1  0.948  0.556  0.030  1.0
  I  I27  1  0.456  0.465  0.463  1.0
  I  I28  1  0.205  0.532  0.106  1.0
  I  I29  1  0.193  0.402  0.379  1.0
  I  I30  1  0.085  0.384  0.793  1.0
  I  I31  1  0.840  0.385  0.287  1.0
  I  I32  1  0.509  0.202  0.750  1.0
  I  I33  1  0.416  0.209  0.254  1.0
  I  I34  1  0.257  0.127  0.634  1.0
  I  I35  1  0.740  0.127  0.591  1.0
  I  I36  1  0.660  0.127  0.135  1.0
  I  I37  1  0.000  0.051  0.486  1.0
  I  I38  1  0.938  0.083  0.007  1.0
  I  I39  1  0.213  0.051  0.105  1.0
[/CIF]
.
The crystal structure described by Ba2YI7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one I(1), one I(11), one I(12), one I(14), one I(2), one I(3), one I(8), and one I(9) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(10), one I(13), one I(3), one I(4), one I(5), one I(6), one I(7), and one I(9) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(14), one I(2), one I(4), one I(6), one I(8), and one I(9) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(11), one I(12), one I(13), one I(2), one I(5), and one I(7) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in an octahedral geometry to one I(11), one I(13), one I(3), one I(5), one I(6), and one I(7) atom. In the second Y site, Y(2) is bonded in an octahedral geometry to one I(1), one I(12), one I(14), one I(2), one I(4), and one I(8) atom. There are fourteen inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom. In the third I site, I(3) 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(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one Y(2) atom. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the sixth I site, I(6) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the seventh I site, I(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the eighth I site, I(8) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one Y(2) atom. In the ninth I site, I(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth I site, I(10) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh I site, I(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one Y(1) atom. In the twelfth I site, I(12) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one Y(2) atom. In the thirteenth I site, I(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Y(1) atom. In the fourteenth I site, I(14) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.184
_cell_length_b   8.347
_cell_length_c   14.876
_cell_angle_alpha   78.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1848.548
_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  0.545  0.771  0.766  1.0
  Ba  Ba1  1  0.129  0.754  0.642  1.0
  Ba  Ba2  1  0.795  0.770  0.144  1.0
  Ba  Ba3  1  0.361  0.666  0.250  1.0
  Ba  Ba4  1  0.861  0.334  0.750  1.0
  Ba  Ba5  1  0.295  0.230  0.856  1.0
  Ba  Ba6  1  0.629  0.246  0.358  1.0
  Ba  Ba7  1  0.045  0.229  0.234  1.0
  Y  Y8  1  0.844  0.834  0.552  1.0
  Y  Y9  1  0.077  0.817  0.052  1.0
  Y  Y10  1  0.577  0.183  0.948  1.0
  Y  Y11  1  0.344  0.166  0.448  1.0
  I  I12  1  0.713  0.949  0.895  1.0
  I  I13  1  0.438  0.917  0.993  1.0
  I  I14  1  0.500  0.949  0.514  1.0
  I  I15  1  0.160  0.873  0.865  1.0
  I  I16  1  0.240  0.873  0.409  1.0
  I  I17  1  0.757  0.873  0.366  1.0
  I  I18  1  0.916  0.791  0.746  1.0
  I  I19  1  0.009  0.798  0.250  1.0
  I  I20  1  0.340  0.615  0.713  1.0
  I  I21  1  0.585  0.616  0.207  1.0
  I  I22  1  0.693  0.598  0.621  1.0
  I  I23  1  0.705  0.468  0.894  1.0
  I  I24  1  0.956  0.535  0.537  1.0
  I  I25  1  0.448  0.444  0.970  1.0
  I  I26  1  0.948  0.556  0.030  1.0
  I  I27  1  0.456  0.465  0.463  1.0
  I  I28  1  0.205  0.532  0.106  1.0
  I  I29  1  0.193  0.402  0.379  1.0
  I  I30  1  0.085  0.384  0.793  1.0
  I  I31  1  0.840  0.385  0.287  1.0
  I  I32  1  0.509  0.202  0.750  1.0
  I  I33  1  0.416  0.209  0.254  1.0
  I  I34  1  0.257  0.127  0.634  1.0
  I  I35  1  0.740  0.127  0.591  1.0
  I  I36  1  0.660  0.127  0.135  1.0
  I  I37  1  0.000  0.051  0.486  1.0
  I  I38  1  0.938  0.083  0.007  1.0
  I  I39  1  0.213  0.051  0.105  1.0
[/CIF]
.