The structure described by MgCo2(HO2)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 9-coordinate geometry to three equivalent H(1) and six equivalent O(1) atoms. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted edge-sharing CoO6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to three equivalent Mg(1) and two equivalent O(1) atoms. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Mg(1), three equivalent Co(1), and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Co(1) and one H(2) atom to form corner-sharing OCo3H tetrahedra. is represented by the CIF card [CIF]
data_MgCo2(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.182
_cell_length_b   3.266
_cell_length_c   9.397
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.161
_symmetry_Int_Tables_number   1
_cell_volume   85.281
_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  0.670  0.340  0.250  1.0
  Co  Co1  1  0.998  0.996  0.543  1.0
  Co  Co2  1  0.998  0.996  0.957  1.0
  H  H3  1  0.344  0.688  0.250  1.0
  H  H4  1  0.658  0.315  0.750  1.0
  O  O5  1  0.339  0.679  0.376  1.0
  O  O6  1  0.660  0.321  0.620  1.0
  O  O7  1  0.660  0.321  0.880  1.0
  O  O8  1  0.339  0.679  0.124  1.0
[/CIF]
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The structure described by MgCo2(HO2)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 9-coordinate geometry to three equivalent H(1) and six equivalent O(1) atoms. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted edge-sharing CoO6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to three equivalent Mg(1) and two equivalent O(1) atoms. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Mg(1), three equivalent Co(1), and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Co(1) and one H(2) atom to form corner-sharing OCo3H tetrahedra. is represented by the CIF card [CIF]
data_MgCo2(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.182
_cell_length_b   3.266
_cell_length_c   9.397
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.161
_symmetry_Int_Tables_number   1
_cell_volume   85.281
_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  0.670  0.340  0.250  1.0
  Co  Co1  1  0.998  0.996  0.543  1.0
  Co  Co2  1  0.998  0.996  0.957  1.0
  H  H3  1  0.344  0.688  0.250  1.0
  H  H4  1  0.658  0.315  0.750  1.0
  O  O5  1  0.339  0.679  0.376  1.0
  O  O6  1  0.660  0.321  0.620  1.0
  O  O7  1  0.660  0.321  0.880  1.0
  O  O8  1  0.339  0.679  0.124  1.0
[/CIF]
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