The material described by MgSO6SO3 crystallizes in the orthorhombic Pnma space group. The structure consists of four sulfur trioxide molecules inside a MgSO6 framework. In the MgSO6 framework, Mg(1) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. S(1) is bonded in a water-like geometry to two equivalent O(4) atoms. There are three inequivalent O sites. In the first O site, O(4) is bonded in a linear geometry to one Mg(1) and one S(1) atom. In the second O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one O(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   8.275
_cell_length_c   12.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   703.491
_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  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.686  0.616  0.250  1.0
  S  S5  1  0.814  0.116  0.250  1.0
  S  S6  1  0.314  0.384  0.750  1.0
  S  S7  1  0.186  0.884  0.750  1.0
  S  S8  1  0.059  0.502  0.250  1.0
  S  S9  1  0.441  0.002  0.250  1.0
  S  S10  1  0.941  0.498  0.750  1.0
  S  S11  1  0.559  0.998  0.750  1.0
  O  O12  1  0.028  0.417  0.151  1.0
  O  O13  1  0.472  0.917  0.349  1.0
  O  O14  1  0.972  0.583  0.651  1.0
  O  O15  1  0.528  0.083  0.849  1.0
  O  O16  1  0.972  0.583  0.849  1.0
  O  O17  1  0.528  0.083  0.651  1.0
  O  O18  1  0.028  0.417  0.349  1.0
  O  O19  1  0.472  0.917  0.151  1.0
  O  O20  1  0.200  0.634  0.250  1.0
  O  O21  1  0.300  0.134  0.250  1.0
  O  O22  1  0.800  0.366  0.750  1.0
  O  O23  1  0.700  0.866  0.750  1.0
  O  O24  1  0.348  0.282  0.054  1.0
  O  O25  1  0.152  0.782  0.446  1.0
  O  O26  1  0.652  0.718  0.554  1.0
  O  O27  1  0.848  0.218  0.946  1.0
  O  O28  1  0.652  0.718  0.946  1.0
  O  O29  1  0.848  0.218  0.554  1.0
  O  O30  1  0.348  0.282  0.446  1.0
  O  O31  1  0.152  0.782  0.054  1.0
  O  O32  1  0.605  0.539  0.152  1.0
  O  O33  1  0.895  0.039  0.348  1.0
  O  O34  1  0.395  0.461  0.652  1.0
  O  O35  1  0.105  0.961  0.848  1.0
  O  O36  1  0.395  0.461  0.848  1.0
  O  O37  1  0.105  0.961  0.652  1.0
  O  O38  1  0.605  0.539  0.348  1.0
  O  O39  1  0.895  0.039  0.152  1.0
  O  O40  1  0.746  0.311  0.005  1.0
  O  O41  1  0.754  0.811  0.495  1.0
  O  O42  1  0.254  0.689  0.505  1.0
  O  O43  1  0.246  0.189  0.995  1.0
  O  O44  1  0.254  0.689  0.995  1.0
  O  O45  1  0.246  0.189  0.505  1.0
  O  O46  1  0.746  0.311  0.495  1.0
  O  O47  1  0.754  0.811  0.005  1.0
[/CIF]
.
The material described by MgSO6SO3 crystallizes in the orthorhombic Pnma space group. The structure consists of four sulfur trioxide molecules inside a MgSO6 framework. In the MgSO6 framework, Mg(1) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. S(1) is bonded in a water-like geometry to two equivalent O(4) atoms. There are three inequivalent O sites. In the first O site, O(4) is bonded in a linear geometry to one Mg(1) and one S(1) atom. In the second O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one O(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   8.275
_cell_length_c   12.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   703.491
_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  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.686  0.616  0.250  1.0
  S  S5  1  0.814  0.116  0.250  1.0
  S  S6  1  0.314  0.384  0.750  1.0
  S  S7  1  0.186  0.884  0.750  1.0
  S  S8  1  0.059  0.502  0.250  1.0
  S  S9  1  0.441  0.002  0.250  1.0
  S  S10  1  0.941  0.498  0.750  1.0
  S  S11  1  0.559  0.998  0.750  1.0
  O  O12  1  0.028  0.417  0.151  1.0
  O  O13  1  0.472  0.917  0.349  1.0
  O  O14  1  0.972  0.583  0.651  1.0
  O  O15  1  0.528  0.083  0.849  1.0
  O  O16  1  0.972  0.583  0.849  1.0
  O  O17  1  0.528  0.083  0.651  1.0
  O  O18  1  0.028  0.417  0.349  1.0
  O  O19  1  0.472  0.917  0.151  1.0
  O  O20  1  0.200  0.634  0.250  1.0
  O  O21  1  0.300  0.134  0.250  1.0
  O  O22  1  0.800  0.366  0.750  1.0
  O  O23  1  0.700  0.866  0.750  1.0
  O  O24  1  0.348  0.282  0.054  1.0
  O  O25  1  0.152  0.782  0.446  1.0
  O  O26  1  0.652  0.718  0.554  1.0
  O  O27  1  0.848  0.218  0.946  1.0
  O  O28  1  0.652  0.718  0.946  1.0
  O  O29  1  0.848  0.218  0.554  1.0
  O  O30  1  0.348  0.282  0.446  1.0
  O  O31  1  0.152  0.782  0.054  1.0
  O  O32  1  0.605  0.539  0.152  1.0
  O  O33  1  0.895  0.039  0.348  1.0
  O  O34  1  0.395  0.461  0.652  1.0
  O  O35  1  0.105  0.961  0.848  1.0
  O  O36  1  0.395  0.461  0.848  1.0
  O  O37  1  0.105  0.961  0.652  1.0
  O  O38  1  0.605  0.539  0.348  1.0
  O  O39  1  0.895  0.039  0.152  1.0
  O  O40  1  0.746  0.311  0.005  1.0
  O  O41  1  0.754  0.811  0.495  1.0
  O  O42  1  0.254  0.689  0.505  1.0
  O  O43  1  0.246  0.189  0.995  1.0
  O  O44  1  0.254  0.689  0.995  1.0
  O  O45  1  0.246  0.189  0.505  1.0
  O  O46  1  0.746  0.311  0.495  1.0
  O  O47  1  0.754  0.811  0.005  1.0
[/CIF]
.