The material structure described by Y(O3I)3 crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one I(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one I(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Y(1) and one I(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Y(1) and one I(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Y(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Y(1) and one I(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one I(2) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(5) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(2), one O(8), and one O(9) atom. In the third I site, I(3) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(6), and one O(7) atom. is represented by the CIF card [CIF]
data_Y(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.052
_cell_length_b   8.450
_cell_length_c   13.280
_cell_angle_alpha   90.000
_cell_angle_beta   99.641
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   780.227
_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
  Y  Y0  1  0.828  0.758  0.855  1.0
  Y  Y1  1  0.172  0.258  0.645  1.0
  Y  Y2  1  0.828  0.742  0.355  1.0
  Y  Y3  1  0.172  0.242  0.145  1.0
  I  I4  1  0.670  0.459  0.142  1.0
  I  I5  1  0.271  0.480  0.389  1.0
  I  I6  1  0.271  0.020  0.889  1.0
  I  I7  1  0.330  0.959  0.358  1.0
  I  I8  1  0.729  0.980  0.111  1.0
  I  I9  1  0.834  0.209  0.388  1.0
  I  I10  1  0.166  0.709  0.112  1.0
  I  I11  1  0.330  0.541  0.858  1.0
  I  I12  1  0.729  0.520  0.611  1.0
  I  I13  1  0.670  0.041  0.642  1.0
  I  I14  1  0.834  0.291  0.888  1.0
  I  I15  1  0.166  0.791  0.612  1.0
  O  O16  1  0.342  0.470  0.730  1.0
  O  O17  1  0.323  0.422  0.522  1.0
  O  O18  1  0.851  0.305  0.176  1.0
  O  O19  1  0.634  0.164  0.453  1.0
  O  O20  1  0.851  0.195  0.676  1.0
  O  O21  1  0.468  0.328  0.136  1.0
  O  O22  1  0.154  0.974  0.683  1.0
  O  O23  1  0.658  0.530  0.270  1.0
  O  O24  1  0.677  0.578  0.478  1.0
  O  O25  1  0.846  0.474  0.817  1.0
  O  O26  1  0.323  0.078  0.022  1.0
  O  O27  1  0.033  0.168  0.489  1.0
  O  O28  1  0.771  0.712  0.676  1.0
  O  O29  1  0.980  0.025  0.112  1.0
  O  O30  1  0.342  0.030  0.230  1.0
  O  O31  1  0.020  0.975  0.888  1.0
  O  O32  1  0.677  0.922  0.978  1.0
  O  O33  1  0.468  0.172  0.636  1.0
  O  O34  1  0.229  0.212  0.824  1.0
  O  O35  1  0.980  0.475  0.612  1.0
  O  O36  1  0.149  0.805  0.324  1.0
  O  O37  1  0.846  0.026  0.317  1.0
  O  O38  1  0.149  0.695  0.824  1.0
  O  O39  1  0.967  0.668  0.011  1.0
  O  O40  1  0.020  0.525  0.388  1.0
  O  O41  1  0.229  0.288  0.324  1.0
  O  O42  1  0.658  0.970  0.770  1.0
  O  O43  1  0.154  0.526  0.183  1.0
  O  O44  1  0.033  0.332  0.989  1.0
  O  O45  1  0.532  0.672  0.864  1.0
  O  O46  1  0.634  0.336  0.953  1.0
  O  O47  1  0.532  0.828  0.364  1.0
  O  O48  1  0.967  0.832  0.511  1.0
  O  O49  1  0.366  0.664  0.047  1.0
  O  O50  1  0.771  0.788  0.176  1.0
  O  O51  1  0.366  0.836  0.547  1.0
[/CIF]
.
The material structure described by Y(O3I)3 crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one I(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one I(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Y(1) and one I(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Y(1) and one I(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Y(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Y(1) and one I(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one I(2) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(5) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(2), one O(8), and one O(9) atom. In the third I site, I(3) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(6), and one O(7) atom. is represented by the CIF card [CIF]
data_Y(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.052
_cell_length_b   8.450
_cell_length_c   13.280
_cell_angle_alpha   90.000
_cell_angle_beta   99.641
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   780.227
_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
  Y  Y0  1  0.828  0.758  0.855  1.0
  Y  Y1  1  0.172  0.258  0.645  1.0
  Y  Y2  1  0.828  0.742  0.355  1.0
  Y  Y3  1  0.172  0.242  0.145  1.0
  I  I4  1  0.670  0.459  0.142  1.0
  I  I5  1  0.271  0.480  0.389  1.0
  I  I6  1  0.271  0.020  0.889  1.0
  I  I7  1  0.330  0.959  0.358  1.0
  I  I8  1  0.729  0.980  0.111  1.0
  I  I9  1  0.834  0.209  0.388  1.0
  I  I10  1  0.166  0.709  0.112  1.0
  I  I11  1  0.330  0.541  0.858  1.0
  I  I12  1  0.729  0.520  0.611  1.0
  I  I13  1  0.670  0.041  0.642  1.0
  I  I14  1  0.834  0.291  0.888  1.0
  I  I15  1  0.166  0.791  0.612  1.0
  O  O16  1  0.342  0.470  0.730  1.0
  O  O17  1  0.323  0.422  0.522  1.0
  O  O18  1  0.851  0.305  0.176  1.0
  O  O19  1  0.634  0.164  0.453  1.0
  O  O20  1  0.851  0.195  0.676  1.0
  O  O21  1  0.468  0.328  0.136  1.0
  O  O22  1  0.154  0.974  0.683  1.0
  O  O23  1  0.658  0.530  0.270  1.0
  O  O24  1  0.677  0.578  0.478  1.0
  O  O25  1  0.846  0.474  0.817  1.0
  O  O26  1  0.323  0.078  0.022  1.0
  O  O27  1  0.033  0.168  0.489  1.0
  O  O28  1  0.771  0.712  0.676  1.0
  O  O29  1  0.980  0.025  0.112  1.0
  O  O30  1  0.342  0.030  0.230  1.0
  O  O31  1  0.020  0.975  0.888  1.0
  O  O32  1  0.677  0.922  0.978  1.0
  O  O33  1  0.468  0.172  0.636  1.0
  O  O34  1  0.229  0.212  0.824  1.0
  O  O35  1  0.980  0.475  0.612  1.0
  O  O36  1  0.149  0.805  0.324  1.0
  O  O37  1  0.846  0.026  0.317  1.0
  O  O38  1  0.149  0.695  0.824  1.0
  O  O39  1  0.967  0.668  0.011  1.0
  O  O40  1  0.020  0.525  0.388  1.0
  O  O41  1  0.229  0.288  0.324  1.0
  O  O42  1  0.658  0.970  0.770  1.0
  O  O43  1  0.154  0.526  0.183  1.0
  O  O44  1  0.033  0.332  0.989  1.0
  O  O45  1  0.532  0.672  0.864  1.0
  O  O46  1  0.634  0.336  0.953  1.0
  O  O47  1  0.532  0.828  0.364  1.0
  O  O48  1  0.967  0.832  0.511  1.0
  O  O49  1  0.366  0.664  0.047  1.0
  O  O50  1  0.771  0.788  0.176  1.0
  O  O51  1  0.366  0.836  0.547  1.0
[/CIF]
.