The compound described by MgSO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MgO6 pentagonal pyramids. In the second Mg site, Mg(2) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted corner-sharing MgO6 pentagonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one S(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one S(2) atom. is represented by the CIF card [CIF]
data_MgSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.992
_cell_length_b   5.345
_cell_length_c   8.093
_cell_angle_alpha   80.112
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   511.062
_cell_formula_units_Z   8
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  0.421  0.331  0.882  1.0
  Mg  Mg1  1  0.756  0.121  0.846  1.0
  Mg  Mg2  1  0.256  0.879  0.654  1.0
  Mg  Mg3  1  0.921  0.669  0.618  1.0
  Mg  Mg4  1  0.079  0.331  0.382  1.0
  Mg  Mg5  1  0.744  0.121  0.346  1.0
  Mg  Mg6  1  0.244  0.879  0.154  1.0
  Mg  Mg7  1  0.579  0.669  0.118  1.0
  S  S8  1  0.174  0.475  0.984  1.0
  S  S9  1  0.521  0.912  0.743  1.0
  S  S10  1  0.021  0.088  0.757  1.0
  S  S11  1  0.674  0.525  0.516  1.0
  S  S12  1  0.326  0.475  0.484  1.0
  S  S13  1  0.979  0.912  0.243  1.0
  S  S14  1  0.479  0.088  0.257  1.0
  S  S15  1  0.826  0.525  0.016  1.0
  O  O16  1  0.261  0.256  0.999  1.0
  O  O17  1  0.242  0.721  0.919  1.0
  O  O18  1  0.518  0.662  0.872  1.0
  O  O19  1  0.844  0.475  0.834  1.0
  O  O20  1  0.902  0.973  0.760  1.0
  O  O21  1  0.582  0.098  0.843  1.0
  O  O22  1  0.082  0.902  0.657  1.0
  O  O23  1  0.402  0.027  0.740  1.0
  O  O24  1  0.344  0.525  0.666  1.0
  O  O25  1  0.018  0.338  0.628  1.0
  O  O26  1  0.742  0.279  0.581  1.0
  O  O27  1  0.761  0.744  0.501  1.0
  O  O28  1  0.239  0.256  0.499  1.0
  O  O29  1  0.258  0.721  0.419  1.0
  O  O30  1  0.982  0.662  0.372  1.0
  O  O31  1  0.656  0.475  0.334  1.0
  O  O32  1  0.598  0.973  0.260  1.0
  O  O33  1  0.918  0.098  0.343  1.0
  O  O34  1  0.418  0.902  0.157  1.0
  O  O35  1  0.098  0.027  0.240  1.0
  O  O36  1  0.156  0.525  0.166  1.0
  O  O37  1  0.482  0.338  0.128  1.0
  O  O38  1  0.758  0.279  0.081  1.0
  O  O39  1  0.739  0.744  0.001  1.0
[/CIF]
.
The compound described by MgSO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MgO6 pentagonal pyramids. In the second Mg site, Mg(2) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted corner-sharing MgO6 pentagonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one S(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one S(2) atom. is represented by the CIF card [CIF]
data_MgSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.992
_cell_length_b   5.345
_cell_length_c   8.093
_cell_angle_alpha   80.112
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   511.062
_cell_formula_units_Z   8
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  0.421  0.331  0.882  1.0
  Mg  Mg1  1  0.756  0.121  0.846  1.0
  Mg  Mg2  1  0.256  0.879  0.654  1.0
  Mg  Mg3  1  0.921  0.669  0.618  1.0
  Mg  Mg4  1  0.079  0.331  0.382  1.0
  Mg  Mg5  1  0.744  0.121  0.346  1.0
  Mg  Mg6  1  0.244  0.879  0.154  1.0
  Mg  Mg7  1  0.579  0.669  0.118  1.0
  S  S8  1  0.174  0.475  0.984  1.0
  S  S9  1  0.521  0.912  0.743  1.0
  S  S10  1  0.021  0.088  0.757  1.0
  S  S11  1  0.674  0.525  0.516  1.0
  S  S12  1  0.326  0.475  0.484  1.0
  S  S13  1  0.979  0.912  0.243  1.0
  S  S14  1  0.479  0.088  0.257  1.0
  S  S15  1  0.826  0.525  0.016  1.0
  O  O16  1  0.261  0.256  0.999  1.0
  O  O17  1  0.242  0.721  0.919  1.0
  O  O18  1  0.518  0.662  0.872  1.0
  O  O19  1  0.844  0.475  0.834  1.0
  O  O20  1  0.902  0.973  0.760  1.0
  O  O21  1  0.582  0.098  0.843  1.0
  O  O22  1  0.082  0.902  0.657  1.0
  O  O23  1  0.402  0.027  0.740  1.0
  O  O24  1  0.344  0.525  0.666  1.0
  O  O25  1  0.018  0.338  0.628  1.0
  O  O26  1  0.742  0.279  0.581  1.0
  O  O27  1  0.761  0.744  0.501  1.0
  O  O28  1  0.239  0.256  0.499  1.0
  O  O29  1  0.258  0.721  0.419  1.0
  O  O30  1  0.982  0.662  0.372  1.0
  O  O31  1  0.656  0.475  0.334  1.0
  O  O32  1  0.598  0.973  0.260  1.0
  O  O33  1  0.918  0.098  0.343  1.0
  O  O34  1  0.418  0.902  0.157  1.0
  O  O35  1  0.098  0.027  0.240  1.0
  O  O36  1  0.156  0.525  0.166  1.0
  O  O37  1  0.482  0.338  0.128  1.0
  O  O38  1  0.758  0.279  0.081  1.0
  O  O39  1  0.739  0.744  0.001  1.0
[/CIF]
.