The structure described by MgNd2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a trigonal pyramidal geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), and four equivalent S(1) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one S(2), one S(3), and four equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Nd(1), and two equivalent Nd(2) atoms to form a mixture of distorted corner, edge, and face-sharing SNd4Mg square pyramids. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Nd(1), and one Nd(2) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nd(2), and two equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_Nd2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.232
_cell_length_b   7.238
_cell_length_c   11.727
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   698.715
_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
  Nd  Nd0  1  0.031  0.750  0.314  1.0
  Nd  Nd1  1  0.969  0.250  0.686  1.0
  Nd  Nd2  1  0.469  0.250  0.814  1.0
  Nd  Nd3  1  0.531  0.750  0.186  1.0
  Nd  Nd4  1  0.086  0.250  0.035  1.0
  Nd  Nd5  1  0.914  0.750  0.965  1.0
  Nd  Nd6  1  0.414  0.750  0.535  1.0
  Nd  Nd7  1  0.586  0.250  0.465  1.0
  Mg  Mg8  1  0.192  0.250  0.415  1.0
  Mg  Mg9  1  0.808  0.750  0.585  1.0
  Mg  Mg10  1  0.308  0.750  0.915  1.0
  Mg  Mg11  1  0.692  0.250  0.085  1.0
  S  S12  1  0.143  0.495  0.846  1.0
  S  S13  1  0.857  0.505  0.154  1.0
  S  S14  1  0.357  0.505  0.346  1.0
  S  S15  1  0.643  0.495  0.654  1.0
  S  S16  1  0.643  0.005  0.654  1.0
  S  S17  1  0.357  0.995  0.346  1.0
  S  S18  1  0.857  0.995  0.154  1.0
  S  S19  1  0.143  0.005  0.846  1.0
  S  S20  1  0.912  0.250  0.444  1.0
  S  S21  1  0.088  0.750  0.556  1.0
  S  S22  1  0.588  0.750  0.944  1.0
  S  S23  1  0.412  0.250  0.056  1.0
  S  S24  1  0.206  0.750  0.109  1.0
  S  S25  1  0.794  0.250  0.891  1.0
  S  S26  1  0.294  0.250  0.609  1.0
  S  S27  1  0.706  0.750  0.391  1.0
[/CIF]
.
The structure described by MgNd2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a trigonal pyramidal geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), and four equivalent S(1) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one S(2), one S(3), and four equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Nd(1), and two equivalent Nd(2) atoms to form a mixture of distorted corner, edge, and face-sharing SNd4Mg square pyramids. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Nd(1), and one Nd(2) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nd(2), and two equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_Nd2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.232
_cell_length_b   7.238
_cell_length_c   11.727
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   698.715
_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
  Nd  Nd0  1  0.031  0.750  0.314  1.0
  Nd  Nd1  1  0.969  0.250  0.686  1.0
  Nd  Nd2  1  0.469  0.250  0.814  1.0
  Nd  Nd3  1  0.531  0.750  0.186  1.0
  Nd  Nd4  1  0.086  0.250  0.035  1.0
  Nd  Nd5  1  0.914  0.750  0.965  1.0
  Nd  Nd6  1  0.414  0.750  0.535  1.0
  Nd  Nd7  1  0.586  0.250  0.465  1.0
  Mg  Mg8  1  0.192  0.250  0.415  1.0
  Mg  Mg9  1  0.808  0.750  0.585  1.0
  Mg  Mg10  1  0.308  0.750  0.915  1.0
  Mg  Mg11  1  0.692  0.250  0.085  1.0
  S  S12  1  0.143  0.495  0.846  1.0
  S  S13  1  0.857  0.505  0.154  1.0
  S  S14  1  0.357  0.505  0.346  1.0
  S  S15  1  0.643  0.495  0.654  1.0
  S  S16  1  0.643  0.005  0.654  1.0
  S  S17  1  0.357  0.995  0.346  1.0
  S  S18  1  0.857  0.995  0.154  1.0
  S  S19  1  0.143  0.005  0.846  1.0
  S  S20  1  0.912  0.250  0.444  1.0
  S  S21  1  0.088  0.750  0.556  1.0
  S  S22  1  0.588  0.750  0.944  1.0
  S  S23  1  0.412  0.250  0.056  1.0
  S  S24  1  0.206  0.750  0.109  1.0
  S  S25  1  0.794  0.250  0.891  1.0
  S  S26  1  0.294  0.250  0.609  1.0
  S  S27  1  0.706  0.750  0.391  1.0
[/CIF]
.