The crystal structure described by Yb(IO3)3 crystallizes in the monoclinic P2_1/c space group. Yb(1) is bonded in a 7-coordinate geometry to 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 distorted single-bond geometry to one I(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Yb(1) and one I(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Yb(1) and one I(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to two equivalent I(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Yb(1) and one I(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Yb(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Yb(1) and one I(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Yb(1) and one I(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Yb(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(7), one O(8), and two equivalent O(4) atoms. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one O(9) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.118
_cell_length_b   8.918
_cell_length_c   16.483
_cell_angle_alpha   64.846
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   814.067
_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
  Yb  Yb0  1  0.773  0.645  0.394  1.0
  Yb  Yb1  1  0.727  0.645  0.894  1.0
  Yb  Yb2  1  0.273  0.355  0.106  1.0
  Yb  Yb3  1  0.227  0.355  0.606  1.0
  I  I4  1  0.858  0.140  0.523  1.0
  I  I5  1  0.142  0.860  0.477  1.0
  I  I6  1  0.808  0.560  0.149  1.0
  I  I7  1  0.192  0.440  0.851  1.0
  I  I8  1  0.406  0.917  0.696  1.0
  I  I9  1  0.642  0.140  0.023  1.0
  I  I10  1  0.906  0.083  0.804  1.0
  I  I11  1  0.358  0.860  0.977  1.0
  I  I12  1  0.692  0.560  0.649  1.0
  I  I13  1  0.308  0.440  0.351  1.0
  I  I14  1  0.094  0.917  0.196  1.0
  I  I15  1  0.594  0.083  0.304  1.0
  O  O16  1  0.595  0.160  0.391  1.0
  O  O17  1  0.505  0.866  0.370  1.0
  O  O18  1  0.450  0.434  0.700  1.0
  O  O19  1  0.421  0.140  0.944  1.0
  O  O20  1  0.818  0.845  0.238  1.0
  O  O21  1  0.894  0.392  0.675  1.0
  O  O22  1  0.470  0.108  0.121  1.0
  O  O23  1  0.530  0.892  0.879  1.0
  O  O24  1  0.872  0.367  0.478  1.0
  O  O25  1  0.579  0.860  0.056  1.0
  O  O26  1  0.079  0.140  0.444  1.0
  O  O27  1  0.182  0.155  0.762  1.0
  O  O28  1  0.550  0.566  0.300  1.0
  O  O29  1  0.970  0.892  0.379  1.0
  O  O30  1  0.371  0.402  0.466  1.0
  O  O31  1  0.095  0.840  0.109  1.0
  O  O32  1  0.905  0.160  0.891  1.0
  O  O33  1  0.394  0.608  0.825  1.0
  O  O34  1  0.005  0.134  0.130  1.0
  O  O35  1  0.629  0.598  0.534  1.0
  O  O36  1  0.682  0.845  0.738  1.0
  O  O37  1  0.628  0.367  0.978  1.0
  O  O38  1  0.921  0.860  0.556  1.0
  O  O39  1  0.405  0.840  0.609  1.0
  O  O40  1  0.495  0.134  0.630  1.0
  O  O41  1  0.606  0.392  0.175  1.0
  O  O42  1  0.050  0.434  0.200  1.0
  O  O43  1  0.995  0.866  0.870  1.0
  O  O44  1  0.106  0.608  0.325  1.0
  O  O45  1  0.030  0.108  0.621  1.0
  O  O46  1  0.950  0.566  0.800  1.0
  O  O47  1  0.871  0.598  0.034  1.0
  O  O48  1  0.129  0.402  0.966  1.0
  O  O49  1  0.128  0.633  0.522  1.0
  O  O50  1  0.372  0.633  0.022  1.0
  O  O51  1  0.318  0.155  0.262  1.0
[/CIF]
.
The crystal structure described by Yb(IO3)3 crystallizes in the monoclinic P2_1/c space group. Yb(1) is bonded in a 7-coordinate geometry to 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 distorted single-bond geometry to one I(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Yb(1) and one I(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Yb(1) and one I(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to two equivalent I(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Yb(1) and one I(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Yb(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Yb(1) and one I(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Yb(1) and one I(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Yb(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(7), one O(8), and two equivalent O(4) atoms. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one O(9) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.118
_cell_length_b   8.918
_cell_length_c   16.483
_cell_angle_alpha   64.846
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   814.067
_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
  Yb  Yb0  1  0.773  0.645  0.394  1.0
  Yb  Yb1  1  0.727  0.645  0.894  1.0
  Yb  Yb2  1  0.273  0.355  0.106  1.0
  Yb  Yb3  1  0.227  0.355  0.606  1.0
  I  I4  1  0.858  0.140  0.523  1.0
  I  I5  1  0.142  0.860  0.477  1.0
  I  I6  1  0.808  0.560  0.149  1.0
  I  I7  1  0.192  0.440  0.851  1.0
  I  I8  1  0.406  0.917  0.696  1.0
  I  I9  1  0.642  0.140  0.023  1.0
  I  I10  1  0.906  0.083  0.804  1.0
  I  I11  1  0.358  0.860  0.977  1.0
  I  I12  1  0.692  0.560  0.649  1.0
  I  I13  1  0.308  0.440  0.351  1.0
  I  I14  1  0.094  0.917  0.196  1.0
  I  I15  1  0.594  0.083  0.304  1.0
  O  O16  1  0.595  0.160  0.391  1.0
  O  O17  1  0.505  0.866  0.370  1.0
  O  O18  1  0.450  0.434  0.700  1.0
  O  O19  1  0.421  0.140  0.944  1.0
  O  O20  1  0.818  0.845  0.238  1.0
  O  O21  1  0.894  0.392  0.675  1.0
  O  O22  1  0.470  0.108  0.121  1.0
  O  O23  1  0.530  0.892  0.879  1.0
  O  O24  1  0.872  0.367  0.478  1.0
  O  O25  1  0.579  0.860  0.056  1.0
  O  O26  1  0.079  0.140  0.444  1.0
  O  O27  1  0.182  0.155  0.762  1.0
  O  O28  1  0.550  0.566  0.300  1.0
  O  O29  1  0.970  0.892  0.379  1.0
  O  O30  1  0.371  0.402  0.466  1.0
  O  O31  1  0.095  0.840  0.109  1.0
  O  O32  1  0.905  0.160  0.891  1.0
  O  O33  1  0.394  0.608  0.825  1.0
  O  O34  1  0.005  0.134  0.130  1.0
  O  O35  1  0.629  0.598  0.534  1.0
  O  O36  1  0.682  0.845  0.738  1.0
  O  O37  1  0.628  0.367  0.978  1.0
  O  O38  1  0.921  0.860  0.556  1.0
  O  O39  1  0.405  0.840  0.609  1.0
  O  O40  1  0.495  0.134  0.630  1.0
  O  O41  1  0.606  0.392  0.175  1.0
  O  O42  1  0.050  0.434  0.200  1.0
  O  O43  1  0.995  0.866  0.870  1.0
  O  O44  1  0.106  0.608  0.325  1.0
  O  O45  1  0.030  0.108  0.621  1.0
  O  O46  1  0.950  0.566  0.800  1.0
  O  O47  1  0.871  0.598  0.034  1.0
  O  O48  1  0.129  0.402  0.966  1.0
  O  O49  1  0.128  0.633  0.522  1.0
  O  O50  1  0.372  0.633  0.022  1.0
  O  O51  1  0.318  0.155  0.262  1.0
[/CIF]
.