The compound described by MgSO3 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one S(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_MgSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.768
_cell_length_b   4.355
_cell_length_c   6.510
_cell_angle_alpha   87.335
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.290
_cell_formula_units_Z   4
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  0.224  0.764  0.975  1.0
  Mg  Mg1  1  0.276  0.764  0.475  1.0
  Mg  Mg2  1  0.724  0.236  0.525  1.0
  Mg  Mg3  1  0.776  0.236  0.025  1.0
  S  S4  1  0.574  0.744  0.786  1.0
  S  S5  1  0.926  0.744  0.286  1.0
  S  S6  1  0.074  0.256  0.714  1.0
  S  S7  1  0.426  0.256  0.214  1.0
  O  O8  1  0.116  0.910  0.693  1.0
  O  O9  1  0.384  0.910  0.193  1.0
  O  O10  1  0.399  0.749  0.750  1.0
  O  O11  1  0.645  0.685  0.575  1.0
  O  O12  1  0.101  0.749  0.250  1.0
  O  O13  1  0.855  0.685  0.075  1.0
  O  O14  1  0.145  0.315  0.925  1.0
  O  O15  1  0.899  0.251  0.750  1.0
  O  O16  1  0.355  0.315  0.425  1.0
  O  O17  1  0.601  0.251  0.250  1.0
  O  O18  1  0.616  0.090  0.807  1.0
  O  O19  1  0.884  0.090  0.307  1.0
[/CIF]
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The compound described by MgSO3 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one S(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_MgSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.768
_cell_length_b   4.355
_cell_length_c   6.510
_cell_angle_alpha   87.335
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.290
_cell_formula_units_Z   4
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  0.224  0.764  0.975  1.0
  Mg  Mg1  1  0.276  0.764  0.475  1.0
  Mg  Mg2  1  0.724  0.236  0.525  1.0
  Mg  Mg3  1  0.776  0.236  0.025  1.0
  S  S4  1  0.574  0.744  0.786  1.0
  S  S5  1  0.926  0.744  0.286  1.0
  S  S6  1  0.074  0.256  0.714  1.0
  S  S7  1  0.426  0.256  0.214  1.0
  O  O8  1  0.116  0.910  0.693  1.0
  O  O9  1  0.384  0.910  0.193  1.0
  O  O10  1  0.399  0.749  0.750  1.0
  O  O11  1  0.645  0.685  0.575  1.0
  O  O12  1  0.101  0.749  0.250  1.0
  O  O13  1  0.855  0.685  0.075  1.0
  O  O14  1  0.145  0.315  0.925  1.0
  O  O15  1  0.899  0.251  0.750  1.0
  O  O16  1  0.355  0.315  0.425  1.0
  O  O17  1  0.601  0.251  0.250  1.0
  O  O18  1  0.616  0.090  0.807  1.0
  O  O19  1  0.884  0.090  0.307  1.0
[/CIF]
.