The crystal structure described by K2MgH4(O7I2)2 crystallizes in the monoclinic C2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms. Mg(1) is bonded in an octahedral geometry to one O(1), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one H(2), and one I(1) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one I(2) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent H(2) atoms. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one I(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Mg(1), and one I(1) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one H(1), and one I(2) atom. In the seventh O site, O(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent H(1) atoms. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one K(2), one Mg(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(7) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(6), and one O(8) atom. is represented by the CIF card [CIF]
data_K2MgH4(I2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.056
_cell_length_b   8.056
_cell_length_c   8.379
_cell_angle_alpha   59.249
_cell_angle_beta   59.249
_cell_angle_gamma   61.037
_symmetry_Int_Tables_number   1
_cell_volume   382.918
_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
  K  K0  1  0.134  0.866  0.000  1.0
  K  K1  1  0.655  0.345  0.000  1.0
  Mg  Mg2  1  0.581  0.419  0.500  1.0
  H  H3  1  0.941  0.144  0.539  1.0
  H  H4  1  0.856  0.059  0.461  1.0
  H  H5  1  0.309  0.784  0.375  1.0
  H  H6  1  0.216  0.691  0.625  1.0
  I  I7  1  0.167  0.364  0.980  1.0
  I  I8  1  0.636  0.833  0.020  1.0
  I  I9  1  0.635  0.808  0.518  1.0
  I  I10  1  0.192  0.365  0.482  1.0
  O  O11  1  0.329  0.671  0.500  1.0
  O  O12  1  0.069  0.290  0.879  1.0
  O  O13  1  0.710  0.931  0.121  1.0
  O  O14  1  0.436  0.321  0.820  1.0
  O  O15  1  0.679  0.564  0.180  1.0
  O  O16  1  0.873  0.862  0.414  1.0
  O  O17  1  0.138  0.127  0.586  1.0
  O  O18  1  0.829  0.171  0.500  1.0
  O  O19  1  0.739  0.543  0.529  1.0
  O  O20  1  0.457  0.261  0.471  1.0
  O  O21  1  0.079  0.642  0.865  1.0
  O  O22  1  0.358  0.921  0.135  1.0
  O  O23  1  0.557  0.754  0.783  1.0
  O  O24  1  0.246  0.443  0.217  1.0
[/CIF]
.
The crystal structure described by K2MgH4(O7I2)2 crystallizes in the monoclinic C2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms. Mg(1) is bonded in an octahedral geometry to one O(1), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one H(2), and one I(1) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one I(2) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent H(2) atoms. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one I(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Mg(1), and one I(1) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one H(1), and one I(2) atom. In the seventh O site, O(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent H(1) atoms. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one K(2), one Mg(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(7) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(6), and one O(8) atom. is represented by the CIF card [CIF]
data_K2MgH4(I2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.056
_cell_length_b   8.056
_cell_length_c   8.379
_cell_angle_alpha   59.249
_cell_angle_beta   59.249
_cell_angle_gamma   61.037
_symmetry_Int_Tables_number   1
_cell_volume   382.918
_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
  K  K0  1  0.134  0.866  0.000  1.0
  K  K1  1  0.655  0.345  0.000  1.0
  Mg  Mg2  1  0.581  0.419  0.500  1.0
  H  H3  1  0.941  0.144  0.539  1.0
  H  H4  1  0.856  0.059  0.461  1.0
  H  H5  1  0.309  0.784  0.375  1.0
  H  H6  1  0.216  0.691  0.625  1.0
  I  I7  1  0.167  0.364  0.980  1.0
  I  I8  1  0.636  0.833  0.020  1.0
  I  I9  1  0.635  0.808  0.518  1.0
  I  I10  1  0.192  0.365  0.482  1.0
  O  O11  1  0.329  0.671  0.500  1.0
  O  O12  1  0.069  0.290  0.879  1.0
  O  O13  1  0.710  0.931  0.121  1.0
  O  O14  1  0.436  0.321  0.820  1.0
  O  O15  1  0.679  0.564  0.180  1.0
  O  O16  1  0.873  0.862  0.414  1.0
  O  O17  1  0.138  0.127  0.586  1.0
  O  O18  1  0.829  0.171  0.500  1.0
  O  O19  1  0.739  0.543  0.529  1.0
  O  O20  1  0.457  0.261  0.471  1.0
  O  O21  1  0.079  0.642  0.865  1.0
  O  O22  1  0.358  0.921  0.135  1.0
  O  O23  1  0.557  0.754  0.783  1.0
  O  O24  1  0.246  0.443  0.217  1.0
[/CIF]
.