The material structure described by MgNd2S4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. Nd(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_Nd2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.369
_cell_length_b   7.369
_cell_length_c   7.369
_cell_angle_alpha   110.964
_cell_angle_beta   110.964
_cell_angle_gamma   106.525
_symmetry_Int_Tables_number   1
_cell_volume   307.396
_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
  Nd  Nd0  1  0.875  0.757  0.382  1.0
  Nd  Nd1  1  0.507  0.125  0.882  1.0
  Nd  Nd2  1  0.375  0.493  0.618  1.0
  Nd  Nd3  1  0.243  0.625  0.118  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.506  0.377  0.267  1.0
  S  S7  1  0.761  0.494  0.870  1.0
  S  S8  1  0.110  0.239  0.733  1.0
  S  S9  1  0.623  0.890  0.130  1.0
  S  S10  1  0.244  0.011  0.370  1.0
  S  S11  1  0.989  0.360  0.233  1.0
  S  S12  1  0.640  0.873  0.630  1.0
  S  S13  1  0.127  0.756  0.767  1.0
[/CIF]
.
The material structure described by MgNd2S4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. Nd(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_Nd2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.369
_cell_length_b   7.369
_cell_length_c   7.369
_cell_angle_alpha   110.964
_cell_angle_beta   110.964
_cell_angle_gamma   106.525
_symmetry_Int_Tables_number   1
_cell_volume   307.396
_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
  Nd  Nd0  1  0.875  0.757  0.382  1.0
  Nd  Nd1  1  0.507  0.125  0.882  1.0
  Nd  Nd2  1  0.375  0.493  0.618  1.0
  Nd  Nd3  1  0.243  0.625  0.118  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.506  0.377  0.267  1.0
  S  S7  1  0.761  0.494  0.870  1.0
  S  S8  1  0.110  0.239  0.733  1.0
  S  S9  1  0.623  0.890  0.130  1.0
  S  S10  1  0.244  0.011  0.370  1.0
  S  S11  1  0.989  0.360  0.233  1.0
  S  S12  1  0.640  0.873  0.630  1.0
  S  S13  1  0.127  0.756  0.767  1.0
[/CIF]
.