data_HoIO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   11.28
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   125.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoIO9
_chemical_formula_sum   'Ho4 I4 O36'
_cell_volume   743.24
_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
  Ho  Ho0  1  0.41  0.98  0.64  1.0
  Ho  Ho1  1  0.19  0.62  0.67  1.0
  Ho  Ho2  1  0.15  0.3  0.99  1.0
  Ho  Ho3  1  0.38  0.66  0.96  1.0
  I  I4  1  0.13  0.71  0.98  1.0
  I  I5  1  0.47  0.36  0.34  1.0
  I  I6  1  0.43  0.57  0.65  1.0
  I  I7  1  0.1  0.93  0.29  1.0
  O  O8  1  0.68  0.82  0.46  1.0
  O  O9  1  0.92  0.46  0.85  1.0
  O  O10  1  0.88  0.47  0.17  1.0
  O  O11  1  0.65  0.82  0.78  1.0
  O  O12  1  0.43  0.21  0.15  1.0
  O  O13  1  0.16  0.85  0.16  1.0
  O  O14  1  0.13  0.07  0.48  1.0
  O  O15  1  0.4  0.43  0.47  1.0
  O  O16  1  0.18  0.5  0.93  1.0
  O  O17  1  0.42  0.15  0.38  1.0
  O  O18  1  0.39  0.78  0.7  1.0
  O  O19  1  0.14  0.14  0.25  1.0
  O  O20  1  0.35  0.57  0.27  1.0
  O  O21  1  0.25  0.21  0.04  1.0
  O  O22  1  0.21  0.72  0.36  1.0
  O  O23  1  0.32  0.07  0.59  1.0
  O  O24  1  0.33  0.46  0.47  1.0
  O  O25  1  0.26  0.82  0.84  1.0
  O  O26  1  0.23  0.82  0.16  1.0
  O  O27  1  0.3  0.47  0.79  1.0
  O  O28  1  0.11  0.57  0.34  1.0
  O  O29  1  0.49  0.93  0.97  1.0
  O  O30  1  0.45  0.71  0.29  1.0
  O  O31  1  0.08  0.36  0.66  1.0
  O  O32  1  0.69  0.43  0.84  1.0
  O  O33  1  0.9  0.79  0.48  1.0
  O  O34  1  0.87  0.86  0.79  1.0
  O  O35  1  0.66  0.5  0.15  1.0
  O  O36  1  0.37  0.88  0.53  1.0
  O  O37  1  0.22  0.24  0.78  1.0
  O  O38  1  0.19  0.4  0.1  1.0
  O  O39  1  0.34  0.04  0.85  1.0
  O  O40  1  0.08  0.48  0.75  1.0
  O  O41  1  0.52  0.83  0.56  1.0
  O  O42  1  0.49  0.81  0.88  1.0
  O  O43  1  0.04  0.45  0.07  1.0

data_HoIO9
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.63
_cell_length_b   8.77
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.27
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoIO9
_chemical_formula_sum   'Ho4 I4 O36'
_cell_volume   743.24
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ho  Ho0  2  0.2  0.33  0.84  1.0
  Ho  Ho1  2  0.45  0.36  0.48  1.0
  I  I2  2  0.16  0.98  0.79  1.0
  I  I3  2  0.19  0.34  0.43  1.0
  O  O4  2  0.01  0.25  0.69  1.0
  O  O5  2  0.03  0.15  0.29  1.0
  O  O6  2  0.07  0.93  1.0  1.0
  O  O7  2  0.1  0.46  0.68  1.0
  O  O8  2  0.11  0.16  0.32  1.0
  O  O9  2  0.11  0.52  0.29  1.0
  O  O10  2  0.11  0.04  0.57  1.0
  O  O11  2  0.12  0.22  0.74  1.0
  O  O12  2  0.2  0.03  0.43  1.0
  O  O13  2  0.24  0.27  0.93  1.0
  O  O14  2  0.25  0.85  0.32  1.0
  O  O15  2  0.28  0.38  0.64  1.0
  O  O16  2  0.32  0.16  0.93  1.0
  O  O17  2  0.36  0.56  0.67  1.0
  O  O18  2  0.45  0.66  0.79  1.0
  O  O19  2  0.45  0.47  0.32  1.0
  O  O20  2  0.46  0.84  0.36  1.0
  O  O21  2  0.47  0.53  0.9  1.0

Ho Ho Ho Ho I I I I O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O
Ho Ho Ho Ho I I I I O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0 23 o + o 1 40 o o o 1 6 o o o 1 27 o o o 1 18 o o o 1 3 o o o 2 21 o o + 3 16 o o o 3 25 o o o 3 4 o o o 3 42 o o o 4 34 - o o 4 16 o o o 4 25 o o o 4 26 o o + 4 13 o o + 5 12 o o o 5 17 o o o 5 38 o o o 5 20 o o o 5 24 o o o 5 15 o o o 6 24 o o o 6 15 o o o 6 27 o o o 6 18 o o o 6 32 o o o 7 26 o o o 7 13 o o o 7 36 o o o 7 22 o o o 7 19 o + o 7 14 o + o 8 30 o o o 8 41 o o o 8 33 o o o 9 32 o o o 9 43 + o + 9 40 + o o 9 16 + o o 10 35 o o o 10 43 + o o 10 28 + o o 11 42 o o o 11 18 o o o 11 41 o o o 11 34 o o o 12 21 o o o 13 26 o o o 13 22 o o o 14 23 o o o 15 24 o o o 15 20 o o o 16 40 o o o 17 19 o o o 18 42 o o o 20 43 o o o 20 38 o o o 20 24 o o o 20 28 o o o 20 22 o o o 20 30 o o o 22 28 o o o 22 30 o o o 22 26 o o o 22 41 o o o 22 36 o o o 24 28 o o o 25 42 o o o 25 29 o o o 26 30 o o o 27 40 o o o 27 31 o o o 29 42 o o o 29 39 o + o 31 37 o o o 31 40 o o o 36 41 o o o 38 43 o o o 
HoO9I crystallizes in the triclinic P-1 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a bent 120 degrees geometry to one O(15), one O(16), one O(2), one O(5), and one O(8) atom. The Ho(1)-O(15) bond length is 1.50 Å. The Ho(1)-O(16) bond length is 2.59 Å. The Ho(1)-O(2) bond length is 2.32 Å. The Ho(1)-O(5) bond length is 2.37 Å. The Ho(1)-O(8) bond length is 1.23 Å. In the second Ho site, Ho(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(14), one O(17), one O(5), and one I(1) atom. The Ho(2)-O(10) bond length is 2.04 Å. The Ho(2)-O(11) bond length is 3.21 Å. The Ho(2)-O(14) bond length is 2.68 Å. The Ho(2)-O(17) bond length is 2.23 Å. The Ho(2)-O(5) bond length is 2.26 Å. The Ho(2)-I(1) bond length is 2.08 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one O(11), one O(14), and one O(18) atom. The O(1)-O(11) bond length is 2.03 Å. The O(1)-O(14) bond length is 1.67 Å. The O(1)-O(18) bond length is 2.02 Å. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ho(1), one O(13), one O(18), and one O(5) atom. The O(2)-O(13) bond length is 1.67 Å. The O(2)-O(18) bond length is 1.91 Å. The O(2)-O(5) bond length is 1.71 Å. In the third O site, O(3) is bonded in a distorted water-like geometry to one O(8) and one I(2) atom. The O(3)-O(8) bond length is 1.21 Å. The O(3)-I(2) bond length is 2.48 Å. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one O(9) and one I(2) atom. The O(4)-O(9) bond length is 0.62 Å. The O(4)-I(2) bond length is 1.91 Å. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ho(1), one Ho(2), one O(17), one O(2), and one I(1) atom. The O(5)-O(17) bond length is 1.61 Å. The O(5)-I(1) bond length is 2.47 Å. In the sixth O site, O(6) is bonded in a water-like geometry to one O(6) and one I(2) atom. The O(6)-O(6) bond length is 1.75 Å. The O(6)-I(2) bond length is 2.47 Å. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one O(11) and one I(2) atom. The O(7)-O(11) bond length is 1.81 Å. The O(7)-I(2) bond length is 2.50 Å. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ho(1) and one O(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one O(11), one O(4), and one I(1) atom. The O(9)-O(11) bond length is 1.91 Å. The O(9)-I(1) bond length is 2.03 Å. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one Ho(2), one O(12), one O(17), and one I(1) atom. The O(10)-O(12) bond length is 1.91 Å. The O(10)-O(17) bond length is 1.52 Å. The O(10)-I(1) bond length is 2.46 Å. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ho(2), one O(1), one O(7), one O(9), and one I(1) atom. The O(11)-I(1) bond length is 2.74 Å. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one O(10), one O(16), and one O(17) atom. The O(12)-O(16) bond length is 1.72 Å. The O(12)-O(17) bond length is 1.67 Å. In the thirteenth O site, O(13) is bonded in a water-like geometry to one O(2) and one I(1) atom. The O(13)-I(1) bond length is 2.44 Å. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Ho(2) and one O(1) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Ho(1), one O(18), and one I(2) atom. The O(15)-O(18) bond length is 1.12 Å. The O(15)-I(2) bond length is 2.23 Å. In the sixteenth O site, O(16) is bonded in an L-shaped geometry to one Ho(1) and one O(12) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ho(2), one O(10), one O(12), and one O(5) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one O(1), one O(15), and one O(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to one Ho(2), one O(10), one O(11), one O(13), one O(5), and one O(9) atom. In the second I site, I(2) is bonded in a 5-coordinate geometry to one O(15), one O(3), one O(4), one O(6), and one O(7) atom.