The crystal structure described by BaPd(O3I)4 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. Pd(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Pd(1), and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one I(1) and one I(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Pd(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one I(1), and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Pd(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1) and one I(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one I(3), and one I(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Pd(1), and one I(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one I(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ba(1) and one I(4) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), 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(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one O(10), one O(11), one O(12), and one O(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPd(IO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.020
_cell_length_b   7.516
_cell_length_c   8.181
_cell_angle_alpha   105.450
_cell_angle_beta   94.581
_cell_angle_gamma   112.855
_symmetry_Int_Tables_number   1
_cell_volume   321.659
_cell_formula_units_Z   1
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  0.025  0.744  0.754  1.0
  Pd  Pd1  1  0.256  0.742  0.226  1.0
  I  I2  1  0.331  0.385  0.925  1.0
  I  I3  1  0.332  0.442  0.443  1.0
  I  I4  1  0.635  0.088  0.601  1.0
  I  I5  1  0.712  0.047  0.093  1.0
  O  O6  1  0.143  0.534  0.987  1.0
  O  O7  1  0.450  0.390  0.138  1.0
  O  O8  1  0.058  0.139  0.845  1.0
  O  O9  1  0.117  0.529  0.345  1.0
  O  O10  1  0.201  0.450  0.639  1.0
  O  O11  1  0.610  0.683  0.527  1.0
  O  O12  1  0.323  0.955  0.457  1.0
  O  O13  1  0.657  0.345  0.632  1.0
  O  O14  1  0.507  0.051  0.793  1.0
  O  O15  1  0.376  0.953  0.103  1.0
  O  O16  1  0.842  0.086  0.316  1.0
  O  O17  1  0.721  0.806  0.979  1.0
[/CIF]
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The crystal structure described by BaPd(O3I)4 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. Pd(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Pd(1), and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one I(1) and one I(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Pd(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one I(1), and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Pd(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1) and one I(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one I(3), and one I(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Pd(1), and one I(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one I(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ba(1) and one I(4) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), 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(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one O(10), one O(11), one O(12), and one O(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPd(IO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.020
_cell_length_b   7.516
_cell_length_c   8.181
_cell_angle_alpha   105.450
_cell_angle_beta   94.581
_cell_angle_gamma   112.855
_symmetry_Int_Tables_number   1
_cell_volume   321.659
_cell_formula_units_Z   1
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  0.025  0.744  0.754  1.0
  Pd  Pd1  1  0.256  0.742  0.226  1.0
  I  I2  1  0.331  0.385  0.925  1.0
  I  I3  1  0.332  0.442  0.443  1.0
  I  I4  1  0.635  0.088  0.601  1.0
  I  I5  1  0.712  0.047  0.093  1.0
  O  O6  1  0.143  0.534  0.987  1.0
  O  O7  1  0.450  0.390  0.138  1.0
  O  O8  1  0.058  0.139  0.845  1.0
  O  O9  1  0.117  0.529  0.345  1.0
  O  O10  1  0.201  0.450  0.639  1.0
  O  O11  1  0.610  0.683  0.527  1.0
  O  O12  1  0.323  0.955  0.457  1.0
  O  O13  1  0.657  0.345  0.632  1.0
  O  O14  1  0.507  0.051  0.793  1.0
  O  O15  1  0.376  0.953  0.103  1.0
  O  O16  1  0.842  0.086  0.316  1.0
  O  O17  1  0.721  0.806  0.979  1.0
[/CIF]
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