The structure described by MgFe4(HO2)4 crystallizes in the tetragonal I4/m space group. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent H(1) atoms. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 54°. H(1) is bonded in a single-bond geometry to two equivalent Mg(1) and one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Fe(1) and one H(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgFe4(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.731
_cell_length_b   7.731
_cell_length_c   7.731
_cell_angle_alpha   92.305
_cell_angle_beta   92.302
_cell_angle_gamma   156.871
_symmetry_Int_Tables_number   1
_cell_volume   177.837
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.351  0.853  0.204  1.0
  Fe  Fe2  1  0.649  0.147  0.796  1.0
  Fe  Fe3  1  0.147  0.351  0.498  1.0
  Fe  Fe4  1  0.853  0.649  0.502  1.0
  H  H5  1  0.092  0.847  0.938  1.0
  H  H6  1  0.908  0.153  0.062  1.0
  H  H7  1  0.153  0.092  0.245  1.0
  H  H8  1  0.847  0.908  0.755  1.0
  O  O9  1  0.162  0.786  0.948  1.0
  O  O10  1  0.838  0.214  0.052  1.0
  O  O11  1  0.214  0.162  0.375  1.0
  O  O12  1  0.786  0.838  0.625  1.0
  O  O13  1  0.534  0.828  0.363  1.0
  O  O14  1  0.466  0.172  0.637  1.0
  O  O15  1  0.172  0.534  0.706  1.0
  O  O16  1  0.828  0.466  0.294  1.0
[/CIF]
.
The structure described by MgFe4(HO2)4 crystallizes in the tetragonal I4/m space group. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent H(1) atoms. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 54°. H(1) is bonded in a single-bond geometry to two equivalent Mg(1) and one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Fe(1) and one H(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgFe4(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.731
_cell_length_b   7.731
_cell_length_c   7.731
_cell_angle_alpha   92.305
_cell_angle_beta   92.302
_cell_angle_gamma   156.871
_symmetry_Int_Tables_number   1
_cell_volume   177.837
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.351  0.853  0.204  1.0
  Fe  Fe2  1  0.649  0.147  0.796  1.0
  Fe  Fe3  1  0.147  0.351  0.498  1.0
  Fe  Fe4  1  0.853  0.649  0.502  1.0
  H  H5  1  0.092  0.847  0.938  1.0
  H  H6  1  0.908  0.153  0.062  1.0
  H  H7  1  0.153  0.092  0.245  1.0
  H  H8  1  0.847  0.908  0.755  1.0
  O  O9  1  0.162  0.786  0.948  1.0
  O  O10  1  0.838  0.214  0.052  1.0
  O  O11  1  0.214  0.162  0.375  1.0
  O  O12  1  0.786  0.838  0.625  1.0
  O  O13  1  0.534  0.828  0.363  1.0
  O  O14  1  0.466  0.172  0.637  1.0
  O  O15  1  0.172  0.534  0.706  1.0
  O  O16  1  0.828  0.466  0.294  1.0
[/CIF]
.