The compound described by MgFe4(HO2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form distorted edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), two equivalent Fe(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Fe(2), two equivalent Fe(1), and one H(2) atom. is represented by the CIF file [CIF]
data_MgFe4(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.746
_cell_length_b   8.746
_cell_length_c   7.485
_cell_angle_alpha   78.148
_cell_angle_beta   105.910
_cell_angle_gamma   160.248
_symmetry_Int_Tables_number   1
_cell_volume   183.650
_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  0.367  0.816  0.183  1.0
  Fe  Fe2  1  0.633  0.184  0.817  1.0
  Fe  Fe3  1  0.217  0.411  0.628  1.0
  Fe  Fe4  1  0.783  0.589  0.372  1.0
  H  H5  1  0.588  0.756  0.344  1.0
  H  H6  1  0.412  0.244  0.656  1.0
  H  H7  1  0.255  0.596  0.851  1.0
  H  H8  1  0.745  0.404  0.149  1.0
  O  O9  1  0.152  0.789  0.941  1.0
  O  O10  1  0.848  0.211  0.059  1.0
  O  O11  1  0.135  0.061  0.197  1.0
  O  O12  1  0.865  0.939  0.803  1.0
  O  O13  1  0.581  0.832  0.413  1.0
  O  O14  1  0.419  0.168  0.587  1.0
  O  O15  1  0.154  0.570  0.724  1.0
  O  O16  1  0.846  0.430  0.276  1.0
[/CIF]
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The compound described by MgFe4(HO2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form distorted edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), two equivalent Fe(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Fe(2), two equivalent Fe(1), and one H(2) atom. is represented by the CIF file [CIF]
data_MgFe4(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.746
_cell_length_b   8.746
_cell_length_c   7.485
_cell_angle_alpha   78.148
_cell_angle_beta   105.910
_cell_angle_gamma   160.248
_symmetry_Int_Tables_number   1
_cell_volume   183.650
_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  0.367  0.816  0.183  1.0
  Fe  Fe2  1  0.633  0.184  0.817  1.0
  Fe  Fe3  1  0.217  0.411  0.628  1.0
  Fe  Fe4  1  0.783  0.589  0.372  1.0
  H  H5  1  0.588  0.756  0.344  1.0
  H  H6  1  0.412  0.244  0.656  1.0
  H  H7  1  0.255  0.596  0.851  1.0
  H  H8  1  0.745  0.404  0.149  1.0
  O  O9  1  0.152  0.789  0.941  1.0
  O  O10  1  0.848  0.211  0.059  1.0
  O  O11  1  0.135  0.061  0.197  1.0
  O  O12  1  0.865  0.939  0.803  1.0
  O  O13  1  0.581  0.832  0.413  1.0
  O  O14  1  0.419  0.168  0.587  1.0
  O  O15  1  0.154  0.570  0.724  1.0
  O  O16  1  0.846  0.430  0.276  1.0
[/CIF]
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