The structure described by MgS2 is Pyrite-like structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to six equivalent S(1) atoms to form edge-sharing MgS6 octahedra. S(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_MgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.911
_cell_length_b   3.960
_cell_length_c   5.096
_cell_angle_alpha   112.767
_cell_angle_beta   90.034
_cell_angle_gamma   119.543
_symmetry_Int_Tables_number   1
_cell_volume   61.482
_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  0.305  0.611  0.389  1.0
  S  S1  1  0.886  0.771  0.117  1.0
  S  S2  1  0.726  0.451  0.661  1.0
[/CIF]
.
The structure described by MgS2 is Pyrite-like structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to six equivalent S(1) atoms to form edge-sharing MgS6 octahedra. S(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_MgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.911
_cell_length_b   3.960
_cell_length_c   5.096
_cell_angle_alpha   112.767
_cell_angle_beta   90.034
_cell_angle_gamma   119.543
_symmetry_Int_Tables_number   1
_cell_volume   61.482
_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  0.305  0.611  0.389  1.0
  S  S1  1  0.886  0.771  0.117  1.0
  S  S2  1  0.726  0.451  0.661  1.0
[/CIF]
.