The material structure described by Na4MgC6(NS)6 crystallizes in the trigonal P-31c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent S(1) atoms. In the second Na site, Na(2) is bonded to six equivalent S(1) atoms to form corner-sharing NaS6 octahedra. In the third Na site, Na(3) is bonded to six equivalent S(1) atoms to form distorted corner-sharing NaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. Mg(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one C(1) atom. S(1) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MgC6(SN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.746
_cell_length_b   8.746
_cell_length_c   14.085
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   933.136
_cell_formula_units_Z   2
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
  Na  Na0  1  0.333  0.667  0.975  1.0
  Na  Na1  1  0.667  0.333  0.475  1.0
  Na  Na2  1  0.667  0.333  0.025  1.0
  Na  Na3  1  0.333  0.667  0.525  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Na  Na5  1  0.333  0.667  0.250  1.0
  Na  Na6  1  0.000  0.000  0.500  1.0
  Na  Na7  1  0.667  0.333  0.750  1.0
  Mg  Mg8  1  0.667  0.333  0.250  1.0
  Mg  Mg9  1  0.333  0.667  0.750  1.0
  C  C10  1  0.342  0.999  0.364  1.0
  C  C11  1  0.658  0.001  0.636  1.0
  C  C12  1  0.343  0.001  0.864  1.0
  C  C13  1  0.999  0.657  0.636  1.0
  C  C14  1  0.001  0.343  0.364  1.0
  C  C15  1  0.343  0.342  0.636  1.0
  C  C16  1  0.999  0.342  0.864  1.0
  C  C17  1  0.657  0.999  0.136  1.0
  C  C18  1  0.001  0.658  0.136  1.0
  C  C19  1  0.658  0.657  0.864  1.0
  C  C20  1  0.657  0.658  0.364  1.0
  C  C21  1  0.342  0.343  0.136  1.0
  S  S22  1  0.166  0.813  0.392  1.0
  S  S23  1  0.647  0.813  0.108  1.0
  S  S24  1  0.834  0.187  0.608  1.0
  S  S25  1  0.187  0.353  0.392  1.0
  S  S26  1  0.647  0.834  0.392  1.0
  S  S27  1  0.166  0.353  0.108  1.0
  S  S28  1  0.834  0.647  0.892  1.0
  S  S29  1  0.353  0.166  0.608  1.0
  S  S30  1  0.813  0.647  0.608  1.0
  S  S31  1  0.813  0.166  0.892  1.0
  S  S32  1  0.353  0.187  0.892  1.0
  S  S33  1  0.187  0.834  0.108  1.0
  N  N34  1  0.337  0.867  0.843  1.0
  N  N35  1  0.530  0.663  0.843  1.0
  N  N36  1  0.133  0.663  0.657  1.0
  N  N37  1  0.867  0.530  0.157  1.0
  N  N38  1  0.530  0.867  0.657  1.0
  N  N39  1  0.133  0.470  0.843  1.0
  N  N40  1  0.867  0.337  0.343  1.0
  N  N41  1  0.337  0.470  0.657  1.0
  N  N42  1  0.470  0.337  0.157  1.0
  N  N43  1  0.470  0.133  0.343  1.0
  N  N44  1  0.663  0.530  0.343  1.0
  N  N45  1  0.663  0.133  0.157  1.0
[/CIF]
.
The material structure described by Na4MgC6(NS)6 crystallizes in the trigonal P-31c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent S(1) atoms. In the second Na site, Na(2) is bonded to six equivalent S(1) atoms to form corner-sharing NaS6 octahedra. In the third Na site, Na(3) is bonded to six equivalent S(1) atoms to form distorted corner-sharing NaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. Mg(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one C(1) atom. S(1) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MgC6(SN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.746
_cell_length_b   8.746
_cell_length_c   14.085
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   933.136
_cell_formula_units_Z   2
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
  Na  Na0  1  0.333  0.667  0.975  1.0
  Na  Na1  1  0.667  0.333  0.475  1.0
  Na  Na2  1  0.667  0.333  0.025  1.0
  Na  Na3  1  0.333  0.667  0.525  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Na  Na5  1  0.333  0.667  0.250  1.0
  Na  Na6  1  0.000  0.000  0.500  1.0
  Na  Na7  1  0.667  0.333  0.750  1.0
  Mg  Mg8  1  0.667  0.333  0.250  1.0
  Mg  Mg9  1  0.333  0.667  0.750  1.0
  C  C10  1  0.342  0.999  0.364  1.0
  C  C11  1  0.658  0.001  0.636  1.0
  C  C12  1  0.343  0.001  0.864  1.0
  C  C13  1  0.999  0.657  0.636  1.0
  C  C14  1  0.001  0.343  0.364  1.0
  C  C15  1  0.343  0.342  0.636  1.0
  C  C16  1  0.999  0.342  0.864  1.0
  C  C17  1  0.657  0.999  0.136  1.0
  C  C18  1  0.001  0.658  0.136  1.0
  C  C19  1  0.658  0.657  0.864  1.0
  C  C20  1  0.657  0.658  0.364  1.0
  C  C21  1  0.342  0.343  0.136  1.0
  S  S22  1  0.166  0.813  0.392  1.0
  S  S23  1  0.647  0.813  0.108  1.0
  S  S24  1  0.834  0.187  0.608  1.0
  S  S25  1  0.187  0.353  0.392  1.0
  S  S26  1  0.647  0.834  0.392  1.0
  S  S27  1  0.166  0.353  0.108  1.0
  S  S28  1  0.834  0.647  0.892  1.0
  S  S29  1  0.353  0.166  0.608  1.0
  S  S30  1  0.813  0.647  0.608  1.0
  S  S31  1  0.813  0.166  0.892  1.0
  S  S32  1  0.353  0.187  0.892  1.0
  S  S33  1  0.187  0.834  0.108  1.0
  N  N34  1  0.337  0.867  0.843  1.0
  N  N35  1  0.530  0.663  0.843  1.0
  N  N36  1  0.133  0.663  0.657  1.0
  N  N37  1  0.867  0.530  0.157  1.0
  N  N38  1  0.530  0.867  0.657  1.0
  N  N39  1  0.133  0.470  0.843  1.0
  N  N40  1  0.867  0.337  0.343  1.0
  N  N41  1  0.337  0.470  0.657  1.0
  N  N42  1  0.470  0.337  0.157  1.0
  N  N43  1  0.470  0.133  0.343  1.0
  N  N44  1  0.663  0.530  0.343  1.0
  N  N45  1  0.663  0.133  0.157  1.0
[/CIF]
.