The material described by Tm(O3I)3 crystallizes in the monoclinic P2_1/c space group. Tm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Tm(1) and one I(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Tm(1) and one I(3) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to one I(1) atom. In the fourth O site, O(8) is bonded in a bent 150 degrees geometry to one Tm(1) and one I(2) atom. In the fifth O site, O(1) is bonded in a 2-coordinate geometry to one Tm(1) and one I(1) atom. In the sixth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Tm(1) and one I(2) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Tm(1) and one I(3) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Tm(1) and one I(1) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one Tm(1) and one I(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(7) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(5), one O(8), and one O(9) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(6) atom. is represented by the CIF file [CIF]
data_Tm(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.427
_cell_length_b   6.994
_cell_length_c   13.223
_cell_angle_alpha   80.121
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   767.812
_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
  Tm  Tm0  1  0.755  0.828  0.147  1.0
  Tm  Tm1  1  0.245  0.172  0.853  1.0
  Tm  Tm2  1  0.255  0.172  0.353  1.0
  Tm  Tm3  1  0.745  0.828  0.647  1.0
  I  I4  1  0.291  0.838  0.110  1.0
  I  I5  1  0.709  0.162  0.890  1.0
  I  I6  1  0.791  0.162  0.390  1.0
  I  I7  1  0.209  0.838  0.610  1.0
  I  I8  1  0.519  0.730  0.389  1.0
  I  I9  1  0.481  0.270  0.611  1.0
  I  I10  1  0.019  0.270  0.111  1.0
  I  I11  1  0.981  0.730  0.889  1.0
  I  I12  1  0.541  0.332  0.143  1.0
  I  I13  1  0.459  0.668  0.857  1.0
  I  I14  1  0.041  0.668  0.357  1.0
  I  I15  1  0.959  0.332  0.643  1.0
  O  O16  1  0.474  0.849  0.181  1.0
  O  O17  1  0.526  0.151  0.819  1.0
  O  O18  1  0.974  0.151  0.319  1.0
  O  O19  1  0.026  0.849  0.681  1.0
  O  O20  1  0.194  0.851  0.322  1.0
  O  O21  1  0.806  0.149  0.678  1.0
  O  O22  1  0.694  0.149  0.178  1.0
  O  O23  1  0.306  0.851  0.822  1.0
  O  O24  1  0.832  0.964  0.493  1.0
  O  O25  1  0.168  0.036  0.507  1.0
  O  O26  1  0.332  0.036  0.007  1.0
  O  O27  1  0.668  0.964  0.993  1.0
  O  O28  1  0.671  0.535  0.137  1.0
  O  O29  1  0.329  0.465  0.863  1.0
  O  O30  1  0.171  0.465  0.363  1.0
  O  O31  1  0.829  0.535  0.637  1.0
  O  O32  1  0.709  0.777  0.323  1.0
  O  O33  1  0.291  0.223  0.677  1.0
  O  O34  1  0.209  0.223  0.177  1.0
  O  O35  1  0.791  0.777  0.823  1.0
  O  O36  1  0.965  0.658  0.230  1.0
  O  O37  1  0.035  0.342  0.770  1.0
  O  O38  1  0.465  0.342  0.270  1.0
  O  O39  1  0.535  0.658  0.730  1.0
  O  O40  1  0.332  0.634  0.046  1.0
  O  O41  1  0.668  0.366  0.954  1.0
  O  O42  1  0.832  0.366  0.454  1.0
  O  O43  1  0.168  0.634  0.546  1.0
  O  O44  1  0.469  0.981  0.387  1.0
  O  O45  1  0.531  0.019  0.613  1.0
  O  O46  1  0.969  0.019  0.113  1.0
  O  O47  1  0.031  0.981  0.887  1.0
  O  O48  1  0.922  0.678  0.022  1.0
  O  O49  1  0.078  0.322  0.978  1.0
  O  O50  1  0.422  0.322  0.478  1.0
  O  O51  1  0.578  0.678  0.522  1.0
[/CIF]
.
The material described by Tm(O3I)3 crystallizes in the monoclinic P2_1/c space group. Tm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Tm(1) and one I(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Tm(1) and one I(3) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to one I(1) atom. In the fourth O site, O(8) is bonded in a bent 150 degrees geometry to one Tm(1) and one I(2) atom. In the fifth O site, O(1) is bonded in a 2-coordinate geometry to one Tm(1) and one I(1) atom. In the sixth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Tm(1) and one I(2) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Tm(1) and one I(3) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Tm(1) and one I(1) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one Tm(1) and one I(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(7) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(5), one O(8), and one O(9) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(6) atom. is represented by the CIF file [CIF]
data_Tm(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.427
_cell_length_b   6.994
_cell_length_c   13.223
_cell_angle_alpha   80.121
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   767.812
_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
  Tm  Tm0  1  0.755  0.828  0.147  1.0
  Tm  Tm1  1  0.245  0.172  0.853  1.0
  Tm  Tm2  1  0.255  0.172  0.353  1.0
  Tm  Tm3  1  0.745  0.828  0.647  1.0
  I  I4  1  0.291  0.838  0.110  1.0
  I  I5  1  0.709  0.162  0.890  1.0
  I  I6  1  0.791  0.162  0.390  1.0
  I  I7  1  0.209  0.838  0.610  1.0
  I  I8  1  0.519  0.730  0.389  1.0
  I  I9  1  0.481  0.270  0.611  1.0
  I  I10  1  0.019  0.270  0.111  1.0
  I  I11  1  0.981  0.730  0.889  1.0
  I  I12  1  0.541  0.332  0.143  1.0
  I  I13  1  0.459  0.668  0.857  1.0
  I  I14  1  0.041  0.668  0.357  1.0
  I  I15  1  0.959  0.332  0.643  1.0
  O  O16  1  0.474  0.849  0.181  1.0
  O  O17  1  0.526  0.151  0.819  1.0
  O  O18  1  0.974  0.151  0.319  1.0
  O  O19  1  0.026  0.849  0.681  1.0
  O  O20  1  0.194  0.851  0.322  1.0
  O  O21  1  0.806  0.149  0.678  1.0
  O  O22  1  0.694  0.149  0.178  1.0
  O  O23  1  0.306  0.851  0.822  1.0
  O  O24  1  0.832  0.964  0.493  1.0
  O  O25  1  0.168  0.036  0.507  1.0
  O  O26  1  0.332  0.036  0.007  1.0
  O  O27  1  0.668  0.964  0.993  1.0
  O  O28  1  0.671  0.535  0.137  1.0
  O  O29  1  0.329  0.465  0.863  1.0
  O  O30  1  0.171  0.465  0.363  1.0
  O  O31  1  0.829  0.535  0.637  1.0
  O  O32  1  0.709  0.777  0.323  1.0
  O  O33  1  0.291  0.223  0.677  1.0
  O  O34  1  0.209  0.223  0.177  1.0
  O  O35  1  0.791  0.777  0.823  1.0
  O  O36  1  0.965  0.658  0.230  1.0
  O  O37  1  0.035  0.342  0.770  1.0
  O  O38  1  0.465  0.342  0.270  1.0
  O  O39  1  0.535  0.658  0.730  1.0
  O  O40  1  0.332  0.634  0.046  1.0
  O  O41  1  0.668  0.366  0.954  1.0
  O  O42  1  0.832  0.366  0.454  1.0
  O  O43  1  0.168  0.634  0.546  1.0
  O  O44  1  0.469  0.981  0.387  1.0
  O  O45  1  0.531  0.019  0.613  1.0
  O  O46  1  0.969  0.019  0.113  1.0
  O  O47  1  0.031  0.981  0.887  1.0
  O  O48  1  0.922  0.678  0.022  1.0
  O  O49  1  0.078  0.322  0.978  1.0
  O  O50  1  0.422  0.322  0.478  1.0
  O  O51  1  0.578  0.678  0.522  1.0
[/CIF]
.