The compound described by Ba5Y3I19 crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one I(12), one I(13), one I(16), one I(17), one I(4), one I(6), and two equivalent I(9) atoms. In the second Ba site, Ba(2) is bonded to one I(12), one I(15), one I(3), one I(5), one I(6), and one I(8) atom to form distorted BaI6 pentagonal pyramids that share  a cornercorner with one Y(3)I6 octahedra,  an edgeedge with one Y(1)I6 octahedra, and  an edgeedge with one Y(2)I6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one I(13), one I(16), one I(2), one I(3), one I(5), one I(7), and one I(9) atom. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one I(1), one I(14), one I(16), one I(17), one I(19), one I(2), and one I(8) atom. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one I(12), one I(15), one I(17), one I(18), one I(19), one I(20), and one I(4) atom. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to one I(1), one I(19), one I(2), one I(4), one I(5), and one I(6) atom to form YI6 octahedra that share  an edgeedge with one Ba(2)I6 pentagonal pyramid. In the second Y site, Y(2) is bonded to one I(10), one I(11), one I(14), one I(15), one I(7), and one I(8) atom to form YI6 octahedra that share corners with two equivalent Y(2)I6 octahedra and  an edgeedge with one Ba(2)I6 pentagonal pyramid. The corner-sharing octahedra are not tilted. In the third Y site, Y(3) is bonded to one I(13), one I(17), one I(18), one I(20), one I(3), and one I(9) atom to form YI6 octahedra that share  a cornercorner with one Ba(2)I6 pentagonal pyramid. There are twenty inequivalent I sites. In the first I site, I(1) is bonded in a bent 150 degrees geometry to one Ba(4) and one Y(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(4), and one Y(1) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one Y(3) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(5), and one Y(1) atom. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the sixth I site, I(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh I site, I(7) is bonded in a distorted bent 120 degrees geometry to one Ba(3) and one Y(2) atom. In the eighth I site, I(8) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(4), and one Y(2) atom. In the ninth I site, I(9) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Y(3) atom. In the tenth I site, I(10) is bonded in a linear geometry to two equivalent Y(2) atoms. In the eleventh I site, I(11) is bonded in a linear geometry to two equivalent Y(2) atoms. In the twelfth I site, I(12) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(5) atom. In the thirteenth I site, I(13) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one Y(3) atom. In the fourteenth I site, I(14) is bonded in a water-like geometry to one Ba(4) and one Y(2) atom. In the fifteenth I site, I(15) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), and one Y(2) atom. In the sixteenth I site, I(16) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one Ba(4) atom. In the seventeenth I site, I(17) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Ba(5), and one Y(3) atom. In the eighteenth I site, I(18) is bonded in a bent 150 degrees geometry to one Ba(5) and one Y(3) atom. In the nineteenth I site, I(19) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the twentieth I site, I(20) is bonded in a bent 120 degrees geometry to one Ba(5) and one Y(3) atom. is represented by the CIF file [CIF]
data_Ba5Y3I19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.826
_cell_length_b   14.901
_cell_length_c   16.664
_cell_angle_alpha   86.873
_cell_angle_beta   109.942
_cell_angle_gamma   101.460
_symmetry_Int_Tables_number   1
_cell_volume   2704.918
_cell_formula_units_Z   2
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  0.336  0.586  0.566  1.0
  Ba  Ba1  1  0.196  0.811  0.761  1.0
  Ba  Ba2  1  0.262  0.333  0.199  1.0
  Ba  Ba3  1  0.609  0.282  0.832  1.0
  Ba  Ba4  1  0.941  0.190  0.650  1.0
  Ba  Ba5  1  0.059  0.810  0.350  1.0
  Ba  Ba6  1  0.391  0.718  0.168  1.0
  Ba  Ba7  1  0.738  0.667  0.801  1.0
  Ba  Ba8  1  0.804  0.189  0.239  1.0
  Ba  Ba9  1  0.664  0.414  0.434  1.0
  Y  Y10  1  0.164  0.462  0.831  1.0
  Y  Y11  1  0.743  1.000  0.984  1.0
  Y  Y12  1  0.666  0.815  0.520  1.0
  Y  Y13  1  0.334  0.185  0.480  1.0
  Y  Y14  1  0.257  0.000  0.016  1.0
  Y  Y15  1  0.836  0.538  0.169  1.0
  I  I16  1  0.339  0.337  0.860  1.0
  I  I17  1  0.242  0.504  0.025  1.0
  I  I18  1  0.105  0.153  0.317  1.0
  I  I19  1  0.066  0.428  0.638  1.0
  I  I20  1  0.997  0.606  0.790  1.0
  I  I21  1  0.349  0.623  0.795  1.0
  I  I22  1  0.659  0.805  0.926  1.0
  I  I23  1  0.199  0.794  0.972  1.0
  I  I24  1  0.326  0.389  0.449  1.0
  I  I25  1  0.500  0.000  0.000  1.0
  I  I26  1  0.000  0.000  0.000  1.0
  I  I27  1  0.134  0.731  0.559  1.0
  I  I28  1  0.536  0.792  0.656  1.0
  I  I29  1  0.654  0.063  0.801  1.0
  I  I30  1  0.184  0.037  0.823  1.0
  I  I31  1  0.458  0.532  0.288  1.0
  I  I32  1  0.392  0.751  0.399  1.0
  I  I33  1  0.773  0.809  0.382  1.0
  I  I34  1  0.942  0.311  0.830  1.0
  I  I35  1  0.298  0.982  0.488  1.0
  I  I36  1  0.702  0.018  0.512  1.0
  I  I37  1  0.058  0.689  0.170  1.0
  I  I38  1  0.227  0.191  0.618  1.0
  I  I39  1  0.608  0.249  0.601  1.0
  I  I40  1  0.542  0.468  0.712  1.0
  I  I41  1  0.816  0.963  0.177  1.0
  I  I42  1  0.346  0.937  0.199  1.0
  I  I43  1  0.464  0.208  0.344  1.0
  I  I44  1  0.866  0.269  0.441  1.0
  I  I45  1  0.674  0.611  0.551  1.0
  I  I46  1  0.801  0.206  0.028  1.0
  I  I47  1  0.341  0.195  0.074  1.0
  I  I48  1  0.651  0.377  0.205  1.0
  I  I49  1  0.003  0.394  0.210  1.0
  I  I50  1  0.934  0.572  0.362  1.0
  I  I51  1  0.895  0.847  0.683  1.0
  I  I52  1  0.758  0.496  0.975  1.0
  I  I53  1  0.661  0.663  0.140  1.0
[/CIF]
.
The compound described by Ba5Y3I19 crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one I(12), one I(13), one I(16), one I(17), one I(4), one I(6), and two equivalent I(9) atoms. In the second Ba site, Ba(2) is bonded to one I(12), one I(15), one I(3), one I(5), one I(6), and one I(8) atom to form distorted BaI6 pentagonal pyramids that share  a cornercorner with one Y(3)I6 octahedra,  an edgeedge with one Y(1)I6 octahedra, and  an edgeedge with one Y(2)I6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one I(13), one I(16), one I(2), one I(3), one I(5), one I(7), and one I(9) atom. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one I(1), one I(14), one I(16), one I(17), one I(19), one I(2), and one I(8) atom. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one I(12), one I(15), one I(17), one I(18), one I(19), one I(20), and one I(4) atom. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to one I(1), one I(19), one I(2), one I(4), one I(5), and one I(6) atom to form YI6 octahedra that share  an edgeedge with one Ba(2)I6 pentagonal pyramid. In the second Y site, Y(2) is bonded to one I(10), one I(11), one I(14), one I(15), one I(7), and one I(8) atom to form YI6 octahedra that share corners with two equivalent Y(2)I6 octahedra and  an edgeedge with one Ba(2)I6 pentagonal pyramid. The corner-sharing octahedra are not tilted. In the third Y site, Y(3) is bonded to one I(13), one I(17), one I(18), one I(20), one I(3), and one I(9) atom to form YI6 octahedra that share  a cornercorner with one Ba(2)I6 pentagonal pyramid. There are twenty inequivalent I sites. In the first I site, I(1) is bonded in a bent 150 degrees geometry to one Ba(4) and one Y(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(4), and one Y(1) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one Y(3) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(5), and one Y(1) atom. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Y(1) atom. In the sixth I site, I(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh I site, I(7) is bonded in a distorted bent 120 degrees geometry to one Ba(3) and one Y(2) atom. In the eighth I site, I(8) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(4), and one Y(2) atom. In the ninth I site, I(9) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Y(3) atom. In the tenth I site, I(10) is bonded in a linear geometry to two equivalent Y(2) atoms. In the eleventh I site, I(11) is bonded in a linear geometry to two equivalent Y(2) atoms. In the twelfth I site, I(12) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(5) atom. In the thirteenth I site, I(13) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one Y(3) atom. In the fourteenth I site, I(14) is bonded in a water-like geometry to one Ba(4) and one Y(2) atom. In the fifteenth I site, I(15) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), and one Y(2) atom. In the sixteenth I site, I(16) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), and one Ba(4) atom. In the seventeenth I site, I(17) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Ba(5), and one Y(3) atom. In the eighteenth I site, I(18) is bonded in a bent 150 degrees geometry to one Ba(5) and one Y(3) atom. In the nineteenth I site, I(19) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(5), and one Y(1) atom. In the twentieth I site, I(20) is bonded in a bent 120 degrees geometry to one Ba(5) and one Y(3) atom. is represented by the CIF file [CIF]
data_Ba5Y3I19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.826
_cell_length_b   14.901
_cell_length_c   16.664
_cell_angle_alpha   86.873
_cell_angle_beta   109.942
_cell_angle_gamma   101.460
_symmetry_Int_Tables_number   1
_cell_volume   2704.918
_cell_formula_units_Z   2
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  0.336  0.586  0.566  1.0
  Ba  Ba1  1  0.196  0.811  0.761  1.0
  Ba  Ba2  1  0.262  0.333  0.199  1.0
  Ba  Ba3  1  0.609  0.282  0.832  1.0
  Ba  Ba4  1  0.941  0.190  0.650  1.0
  Ba  Ba5  1  0.059  0.810  0.350  1.0
  Ba  Ba6  1  0.391  0.718  0.168  1.0
  Ba  Ba7  1  0.738  0.667  0.801  1.0
  Ba  Ba8  1  0.804  0.189  0.239  1.0
  Ba  Ba9  1  0.664  0.414  0.434  1.0
  Y  Y10  1  0.164  0.462  0.831  1.0
  Y  Y11  1  0.743  1.000  0.984  1.0
  Y  Y12  1  0.666  0.815  0.520  1.0
  Y  Y13  1  0.334  0.185  0.480  1.0
  Y  Y14  1  0.257  0.000  0.016  1.0
  Y  Y15  1  0.836  0.538  0.169  1.0
  I  I16  1  0.339  0.337  0.860  1.0
  I  I17  1  0.242  0.504  0.025  1.0
  I  I18  1  0.105  0.153  0.317  1.0
  I  I19  1  0.066  0.428  0.638  1.0
  I  I20  1  0.997  0.606  0.790  1.0
  I  I21  1  0.349  0.623  0.795  1.0
  I  I22  1  0.659  0.805  0.926  1.0
  I  I23  1  0.199  0.794  0.972  1.0
  I  I24  1  0.326  0.389  0.449  1.0
  I  I25  1  0.500  0.000  0.000  1.0
  I  I26  1  0.000  0.000  0.000  1.0
  I  I27  1  0.134  0.731  0.559  1.0
  I  I28  1  0.536  0.792  0.656  1.0
  I  I29  1  0.654  0.063  0.801  1.0
  I  I30  1  0.184  0.037  0.823  1.0
  I  I31  1  0.458  0.532  0.288  1.0
  I  I32  1  0.392  0.751  0.399  1.0
  I  I33  1  0.773  0.809  0.382  1.0
  I  I34  1  0.942  0.311  0.830  1.0
  I  I35  1  0.298  0.982  0.488  1.0
  I  I36  1  0.702  0.018  0.512  1.0
  I  I37  1  0.058  0.689  0.170  1.0
  I  I38  1  0.227  0.191  0.618  1.0
  I  I39  1  0.608  0.249  0.601  1.0
  I  I40  1  0.542  0.468  0.712  1.0
  I  I41  1  0.816  0.963  0.177  1.0
  I  I42  1  0.346  0.937  0.199  1.0
  I  I43  1  0.464  0.208  0.344  1.0
  I  I44  1  0.866  0.269  0.441  1.0
  I  I45  1  0.674  0.611  0.551  1.0
  I  I46  1  0.801  0.206  0.028  1.0
  I  I47  1  0.341  0.195  0.074  1.0
  I  I48  1  0.651  0.377  0.205  1.0
  I  I49  1  0.003  0.394  0.210  1.0
  I  I50  1  0.934  0.572  0.362  1.0
  I  I51  1  0.895  0.847  0.683  1.0
  I  I52  1  0.758  0.496  0.975  1.0
  I  I53  1  0.661  0.663  0.140  1.0
[/CIF]
.