The material structure described by Mg3(HO3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. H(1) is bonded in a single-bond geometry to one O(1) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent Mg(1), and one O(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), one H(1), and one O(2) atom. is represented by the CIF card [CIF]
data_Mg3(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.421
_cell_length_b   5.421
_cell_length_c   8.115
_cell_angle_alpha   83.004
_cell_angle_beta   83.004
_cell_angle_gamma   33.708
_symmetry_Int_Tables_number   1
_cell_volume   131.254
_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  0.659  0.659  0.133  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Mg  Mg2  1  0.341  0.341  0.867  1.0
  H  H3  1  0.080  0.080  0.898  1.0
  H  H4  1  0.920  0.920  0.102  1.0
  O  O5  1  0.849  0.849  0.032  1.0
  O  O6  1  0.151  0.151  0.968  1.0
  O  O7  1  0.146  0.146  0.316  1.0
  O  O8  1  0.996  0.996  0.732  1.0
  O  O9  1  0.854  0.854  0.684  1.0
  O  O10  1  0.004  0.004  0.268  1.0
[/CIF]
.
The material structure described by Mg3(HO3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. H(1) is bonded in a single-bond geometry to one O(1) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent Mg(1), and one O(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), one H(1), and one O(2) atom. is represented by the CIF card [CIF]
data_Mg3(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.421
_cell_length_b   5.421
_cell_length_c   8.115
_cell_angle_alpha   83.004
_cell_angle_beta   83.004
_cell_angle_gamma   33.708
_symmetry_Int_Tables_number   1
_cell_volume   131.254
_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  0.659  0.659  0.133  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Mg  Mg2  1  0.341  0.341  0.867  1.0
  H  H3  1  0.080  0.080  0.898  1.0
  H  H4  1  0.920  0.920  0.102  1.0
  O  O5  1  0.849  0.849  0.032  1.0
  O  O6  1  0.151  0.151  0.968  1.0
  O  O7  1  0.146  0.146  0.316  1.0
  O  O8  1  0.996  0.996  0.732  1.0
  O  O9  1  0.854  0.854  0.684  1.0
  O  O10  1  0.004  0.004  0.268  1.0
[/CIF]
.