The crystal structure described by MgNb2(PS)2 crystallizes in the orthorhombic Immm space group. Mg(1) is bonded to four equivalent P(1) and two equivalent S(1) atoms to form edge-sharing MgP4S2 octahedra. Nb(1) is bonded in a 6-coordinate geometry to four equivalent P(1) and two equivalent S(1) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Nb(1) atoms. S(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_MgNb2(PS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.340
_cell_length_b   6.856
_cell_length_c   6.933
_cell_angle_alpha   119.635
_cell_angle_beta   103.939
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.584
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.875  0.375  0.750  1.0
  Nb  Nb2  1  0.125  0.625  0.250  1.0
  P  P3  1  0.500  0.701  0.000  1.0
  P  P4  1  0.500  0.299  0.000  1.0
  S  S5  1  0.217  0.217  0.434  1.0
  S  S6  1  0.783  0.783  0.566  1.0
[/CIF]
.
The crystal structure described by MgNb2(PS)2 crystallizes in the orthorhombic Immm space group. Mg(1) is bonded to four equivalent P(1) and two equivalent S(1) atoms to form edge-sharing MgP4S2 octahedra. Nb(1) is bonded in a 6-coordinate geometry to four equivalent P(1) and two equivalent S(1) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Nb(1) atoms. S(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_MgNb2(PS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.340
_cell_length_b   6.856
_cell_length_c   6.933
_cell_angle_alpha   119.635
_cell_angle_beta   103.939
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.584
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.875  0.375  0.750  1.0
  Nb  Nb2  1  0.125  0.625  0.250  1.0
  P  P3  1  0.500  0.701  0.000  1.0
  P  P4  1  0.500  0.299  0.000  1.0
  S  S5  1  0.217  0.217  0.434  1.0
  S  S6  1  0.783  0.783  0.566  1.0
[/CIF]
.