The material structure described by MgSO4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and edges with two equivalent Mg(1)O6 octahedra. S(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 bent 150 degrees geometry to one Mg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_MgSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.746
_cell_length_b   6.639
_cell_length_c   8.596
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.846
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.500  1.0
  S  S4  1  0.976  0.750  0.321  1.0
  S  S5  1  0.476  0.250  0.179  1.0
  S  S6  1  0.024  0.250  0.679  1.0
  S  S7  1  0.524  0.750  0.821  1.0
  O  O8  1  0.228  0.750  0.876  1.0
  O  O9  1  0.728  0.250  0.624  1.0
  O  O10  1  0.772  0.250  0.124  1.0
  O  O11  1  0.272  0.750  0.376  1.0
  O  O12  1  0.538  0.750  0.647  1.0
  O  O13  1  0.038  0.250  0.853  1.0
  O  O14  1  0.462  0.250  0.353  1.0
  O  O15  1  0.962  0.750  0.147  1.0
  O  O16  1  0.837  0.932  0.375  1.0
  O  O17  1  0.337  0.068  0.125  1.0
  O  O18  1  0.163  0.432  0.625  1.0
  O  O19  1  0.663  0.568  0.875  1.0
  O  O20  1  0.163  0.068  0.625  1.0
  O  O21  1  0.663  0.932  0.875  1.0
  O  O22  1  0.837  0.568  0.375  1.0
  O  O23  1  0.337  0.432  0.125  1.0
[/CIF]
.
The material structure described by MgSO4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and edges with two equivalent Mg(1)O6 octahedra. S(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 bent 150 degrees geometry to one Mg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_MgSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.746
_cell_length_b   6.639
_cell_length_c   8.596
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.846
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.500  1.0
  S  S4  1  0.976  0.750  0.321  1.0
  S  S5  1  0.476  0.250  0.179  1.0
  S  S6  1  0.024  0.250  0.679  1.0
  S  S7  1  0.524  0.750  0.821  1.0
  O  O8  1  0.228  0.750  0.876  1.0
  O  O9  1  0.728  0.250  0.624  1.0
  O  O10  1  0.772  0.250  0.124  1.0
  O  O11  1  0.272  0.750  0.376  1.0
  O  O12  1  0.538  0.750  0.647  1.0
  O  O13  1  0.038  0.250  0.853  1.0
  O  O14  1  0.462  0.250  0.353  1.0
  O  O15  1  0.962  0.750  0.147  1.0
  O  O16  1  0.837  0.932  0.375  1.0
  O  O17  1  0.337  0.068  0.125  1.0
  O  O18  1  0.163  0.432  0.625  1.0
  O  O19  1  0.663  0.568  0.875  1.0
  O  O20  1  0.163  0.068  0.625  1.0
  O  O21  1  0.663  0.932  0.875  1.0
  O  O22  1  0.837  0.568  0.375  1.0
  O  O23  1  0.337  0.432  0.125  1.0
[/CIF]
.