The crystal structure described by NaH4O7I crystallizes in the triclinic P1 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted NaO7 pentagonal bipyramids that share edges with three equivalent I(1)O6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. In the fourth H site, H(4) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(2) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one H(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one H(4), and one I(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Na(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one H(3), and one I(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Na(1), one H(1), and one I(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one H(2), and one I(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Na(1), one H(3), and one I(1) atom. I(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form IO6 octahedra that share edges with three equivalent Na(1)O7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_NaH4IO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.542
_cell_length_b   5.721
_cell_length_c   5.731
_cell_angle_alpha   62.439
_cell_angle_beta   64.984
_cell_angle_gamma   64.059
_symmetry_Int_Tables_number   1
_cell_volume   139.206
_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
  Na  Na0  1  0.369  0.354  0.371  1.0
  H  H1  1  0.961  0.450  0.017  1.0
  H  H2  1  0.007  0.961  0.444  1.0
  H  H3  1  0.453  0.006  0.973  1.0
  H  H4  1  0.337  0.629  0.809  1.0
  I  I5  1  0.982  0.011  0.994  1.0
  O  O6  1  0.552  0.552  0.548  1.0
  O  O7  1  0.166  0.632  0.981  1.0
  O  O8  1  0.958  0.164  0.638  1.0
  O  O9  1  0.633  0.962  0.164  1.0
  O  O10  1  0.820  0.360  0.058  1.0
  O  O11  1  0.070  0.828  0.348  1.0
  O  O12  1  0.349  0.068  0.833  1.0
[/CIF]
.
The crystal structure described by NaH4O7I crystallizes in the triclinic P1 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted NaO7 pentagonal bipyramids that share edges with three equivalent I(1)O6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. In the fourth H site, H(4) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(2) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one H(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one H(4), and one I(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Na(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one H(3), and one I(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Na(1), one H(1), and one I(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one H(2), and one I(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Na(1), one H(3), and one I(1) atom. I(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form IO6 octahedra that share edges with three equivalent Na(1)O7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_NaH4IO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.542
_cell_length_b   5.721
_cell_length_c   5.731
_cell_angle_alpha   62.439
_cell_angle_beta   64.984
_cell_angle_gamma   64.059
_symmetry_Int_Tables_number   1
_cell_volume   139.206
_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
  Na  Na0  1  0.369  0.354  0.371  1.0
  H  H1  1  0.961  0.450  0.017  1.0
  H  H2  1  0.007  0.961  0.444  1.0
  H  H3  1  0.453  0.006  0.973  1.0
  H  H4  1  0.337  0.629  0.809  1.0
  I  I5  1  0.982  0.011  0.994  1.0
  O  O6  1  0.552  0.552  0.548  1.0
  O  O7  1  0.166  0.632  0.981  1.0
  O  O8  1  0.958  0.164  0.638  1.0
  O  O9  1  0.633  0.962  0.164  1.0
  O  O10  1  0.820  0.360  0.058  1.0
  O  O11  1  0.070  0.828  0.348  1.0
  O  O12  1  0.349  0.068  0.833  1.0
[/CIF]
.