The crystal structure described by MgFeHO2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent H(1), one O(1), and three equivalent O(2) atoms. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing FeO6 octahedra. H(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mg(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1) and three equivalent Fe(1) atoms. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form edge-sharing OMg3Fe3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.047
_cell_length_b   3.051
_cell_length_c   6.218
_cell_angle_alpha   89.846
_cell_angle_beta   89.951
_cell_angle_gamma   120.029
_symmetry_Int_Tables_number   1
_cell_volume   50.045
_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  0.331  0.665  0.582  1.0
  Fe  Fe1  1  0.002  0.001  0.032  1.0
  H  H2  1  0.664  0.331  0.457  1.0
  O  O3  1  0.334  0.667  0.176  1.0
  O  O4  1  0.669  0.336  0.826  1.0
[/CIF]
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The crystal structure described by MgFeHO2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent H(1), one O(1), and three equivalent O(2) atoms. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing FeO6 octahedra. H(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mg(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1) and three equivalent Fe(1) atoms. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form edge-sharing OMg3Fe3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFeHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.047
_cell_length_b   3.051
_cell_length_c   6.218
_cell_angle_alpha   89.846
_cell_angle_beta   89.951
_cell_angle_gamma   120.029
_symmetry_Int_Tables_number   1
_cell_volume   50.045
_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  0.331  0.665  0.582  1.0
  Fe  Fe1  1  0.002  0.001  0.032  1.0
  H  H2  1  0.664  0.331  0.457  1.0
  O  O3  1  0.334  0.667  0.176  1.0
  O  O4  1  0.669  0.336  0.826  1.0
[/CIF]
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