The material described by MgNd2S4 is Aluminum carbonitride-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one S(2), one S(3), one S(5), and one S(6) atom to form MgS4 tetrahedra that share corners with two equivalent Nd(2)S6 octahedra, corners with three equivalent Nd(1)S5 trigonal bipyramids, and corners with three equivalent Nd(4)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 66°. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one S(2), one S(7), two equivalent S(1), and two equivalent S(8) atoms. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one S(1), one S(3), one S(4), one S(5), and one S(6) atom to form distorted NdS5 trigonal bipyramids that share  a cornercorner with one Nd(2)S6 octahedra, corners with three equivalent Mg(1)S4 tetrahedra, corners with two equivalent Nd(4)S5 trigonal bipyramids, and  an edgeedge with one Nd(4)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 65°. In the second Nd site, Nd(2) is bonded to one S(1), one S(8), two equivalent S(2), and two equivalent S(7) atoms to form NdS6 octahedra that share corners with two equivalent Mg(1)S4 tetrahedra,  a cornercorner with one Nd(1)S5 trigonal bipyramid, corners with two equivalent Nd(4)S5 trigonal bipyramids, and edges with two equivalent Nd(2)S6 octahedra. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to one S(3), one S(4), one S(8), and two equivalent S(6) atoms. In the fourth Nd site, Nd(4) is bonded to one S(3), one S(4), one S(7), and two equivalent S(5) atoms to form distorted NdS5 trigonal bipyramids that share corners with two equivalent Nd(2)S6 octahedra, corners with three equivalent Mg(1)S4 tetrahedra, corners with two equivalent Nd(1)S5 trigonal bipyramids,  an edgeedge with one Nd(1)S5 trigonal bipyramid, and  an edgeedge with one Nd(4)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-63°. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mg(2), one Nd(1), and one Nd(2) atom to form SNd2Mg2 tetrahedra that share  a cornercorner with one S(3)Nd3Mg tetrahedra,  a cornercorner with one S(5)Nd3Mg tetrahedra,  a cornercorner with one S(6)Nd3Mg tetrahedra, corners with two equivalent S(2)Nd2Mg2 tetrahedra, corners with three equivalent S(8)Nd2Mg2 tetrahedra,  an edgeedge with one S(1)Nd2Mg2 tetrahedra,  an edgeedge with one S(2)Nd2Mg2 tetrahedra, and  an edgeedge with one S(8)Nd2Mg2 tetrahedra. In the second S site, S(2) is bonded to one Mg(1), one Mg(2), and two equivalent Nd(2) atoms to form SNd2Mg2 tetrahedra that share  a cornercorner with one S(3)Nd3Mg tetrahedra,  a cornercorner with one S(5)Nd3Mg tetrahedra,  a cornercorner with one S(6)Nd3Mg tetrahedra, corners with two equivalent S(1)Nd2Mg2 tetrahedra, corners with four equivalent S(8)Nd2Mg2 tetrahedra,  an edgeedge with one S(1)Nd2Mg2 tetrahedra, and  an edgeedge with one S(2)Nd2Mg2 tetrahedra. In the third S site, S(3) is bonded to one Mg(1), one Nd(1), one Nd(3), and one Nd(4) atom to form distorted SNd3Mg tetrahedra that share  a cornercorner with one S(1)Nd2Mg2 tetrahedra,  a cornercorner with one S(2)Nd2Mg2 tetrahedra,  a cornercorner with one S(8)Nd2Mg2 tetrahedra, corners with two equivalent S(5)Nd3Mg tetrahedra, corners with two equivalent S(6)Nd3Mg tetrahedra,  an edgeedge with one S(5)Nd3Mg tetrahedra, and  an edgeedge with one S(6)Nd3Mg tetrahedra. In the fourth S site, S(4) is bonded in a trigonal planar geometry to one Nd(1), one Nd(3), and one Nd(4) atom. In the fifth S site, S(5) is bonded to one Mg(1), one Nd(1), and two equivalent Nd(4) atoms to form distorted SNd3Mg tetrahedra that share  a cornercorner with one S(1)Nd2Mg2 tetrahedra,  a cornercorner with one S(2)Nd2Mg2 tetrahedra, corners with two equivalent S(3)Nd3Mg tetrahedra, corners with two equivalent S(6)Nd3Mg tetrahedra,  an edgeedge with one S(3)Nd3Mg tetrahedra, and  an edgeedge with one S(5)Nd3Mg tetrahedra. In the sixth S site, S(6) is bonded to one Mg(1), one Nd(1), and two equivalent Nd(3) atoms to form distorted SNd3Mg tetrahedra that share  a cornercorner with one S(1)Nd2Mg2 tetrahedra,  a cornercorner with one S(2)Nd2Mg2 tetrahedra, corners with two equivalent S(8)Nd2Mg2 tetrahedra, corners with two equivalent S(3)Nd3Mg tetrahedra, corners with two equivalent S(5)Nd3Mg tetrahedra,  an edgeedge with one S(3)Nd3Mg tetrahedra, and  an edgeedge with one S(6)Nd3Mg tetrahedra. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Mg(2), one Nd(4), and two equivalent Nd(2) atoms. In the eighth S site, S(8) is bonded to two equivalent Mg(2), one Nd(2), and one Nd(3) atom to form SNd2Mg2 tetrahedra that share  a cornercorner with one S(3)Nd3Mg tetrahedra, corners with two equivalent S(6)Nd3Mg tetrahedra, corners with three equivalent S(1)Nd2Mg2 tetrahedra, corners with four equivalent S(2)Nd2Mg2 tetrahedra,  an edgeedge with one S(1)Nd2Mg2 tetrahedra, and  an edgeedge with one S(8)Nd2Mg2 tetrahedra. is represented by the CIF file [CIF]
data_Nd2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.624
_cell_length_b   8.901
_cell_length_c   11.942
_cell_angle_alpha   79.797
_cell_angle_beta   83.569
_cell_angle_gamma   91.222
_symmetry_Int_Tables_number   1
_cell_volume   791.886
_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  0.136  0.706  0.658  1.0
  Nd  Nd1  1  0.864  0.294  0.342  1.0
  Nd  Nd2  1  0.248  0.870  0.997  1.0
  Nd  Nd3  1  0.752  0.130  0.003  1.0
  Nd  Nd4  1  0.369  0.553  0.335  1.0
  Nd  Nd5  1  0.631  0.447  0.665  1.0
  Nd  Nd6  1  0.361  0.027  0.346  1.0
  Nd  Nd7  1  0.639  0.973  0.654  1.0
  Mg  Mg8  1  0.140  0.207  0.686  1.0
  Mg  Mg9  1  0.860  0.793  0.314  1.0
  Mg  Mg10  1  0.248  0.389  0.993  1.0
  Mg  Mg11  1  0.752  0.611  0.007  1.0
  S  S12  1  0.099  0.640  0.888  1.0
  S  S13  1  0.901  0.360  0.112  1.0
  S  S14  1  0.115  0.166  0.892  1.0
  S  S15  1  0.885  0.834  0.108  1.0
  S  S16  1  0.149  0.771  0.394  1.0
  S  S17  1  0.851  0.229  0.606  1.0
  S  S18  1  0.201  0.280  0.378  1.0
  S  S19  1  0.799  0.720  0.622  1.0
  S  S20  1  0.296  0.994  0.609  1.0
  S  S21  1  0.704  0.006  0.391  1.0
  S  S22  1  0.300  0.455  0.603  1.0
  S  S23  1  0.700  0.545  0.397  1.0
  S  S24  1  0.397  0.086  0.117  1.0
  S  S25  1  0.603  0.914  0.883  1.0
  S  S26  1  0.404  0.589  0.105  1.0
  S  S27  1  0.596  0.411  0.895  1.0
[/CIF]
.
The material described by MgNd2S4 is Aluminum carbonitride-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one S(2), one S(3), one S(5), and one S(6) atom to form MgS4 tetrahedra that share corners with two equivalent Nd(2)S6 octahedra, corners with three equivalent Nd(1)S5 trigonal bipyramids, and corners with three equivalent Nd(4)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 66°. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one S(2), one S(7), two equivalent S(1), and two equivalent S(8) atoms. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one S(1), one S(3), one S(4), one S(5), and one S(6) atom to form distorted NdS5 trigonal bipyramids that share  a cornercorner with one Nd(2)S6 octahedra, corners with three equivalent Mg(1)S4 tetrahedra, corners with two equivalent Nd(4)S5 trigonal bipyramids, and  an edgeedge with one Nd(4)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 65°. In the second Nd site, Nd(2) is bonded to one S(1), one S(8), two equivalent S(2), and two equivalent S(7) atoms to form NdS6 octahedra that share corners with two equivalent Mg(1)S4 tetrahedra,  a cornercorner with one Nd(1)S5 trigonal bipyramid, corners with two equivalent Nd(4)S5 trigonal bipyramids, and edges with two equivalent Nd(2)S6 octahedra. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to one S(3), one S(4), one S(8), and two equivalent S(6) atoms. In the fourth Nd site, Nd(4) is bonded to one S(3), one S(4), one S(7), and two equivalent S(5) atoms to form distorted NdS5 trigonal bipyramids that share corners with two equivalent Nd(2)S6 octahedra, corners with three equivalent Mg(1)S4 tetrahedra, corners with two equivalent Nd(1)S5 trigonal bipyramids,  an edgeedge with one Nd(1)S5 trigonal bipyramid, and  an edgeedge with one Nd(4)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-63°. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mg(2), one Nd(1), and one Nd(2) atom to form SNd2Mg2 tetrahedra that share  a cornercorner with one S(3)Nd3Mg tetrahedra,  a cornercorner with one S(5)Nd3Mg tetrahedra,  a cornercorner with one S(6)Nd3Mg tetrahedra, corners with two equivalent S(2)Nd2Mg2 tetrahedra, corners with three equivalent S(8)Nd2Mg2 tetrahedra,  an edgeedge with one S(1)Nd2Mg2 tetrahedra,  an edgeedge with one S(2)Nd2Mg2 tetrahedra, and  an edgeedge with one S(8)Nd2Mg2 tetrahedra. In the second S site, S(2) is bonded to one Mg(1), one Mg(2), and two equivalent Nd(2) atoms to form SNd2Mg2 tetrahedra that share  a cornercorner with one S(3)Nd3Mg tetrahedra,  a cornercorner with one S(5)Nd3Mg tetrahedra,  a cornercorner with one S(6)Nd3Mg tetrahedra, corners with two equivalent S(1)Nd2Mg2 tetrahedra, corners with four equivalent S(8)Nd2Mg2 tetrahedra,  an edgeedge with one S(1)Nd2Mg2 tetrahedra, and  an edgeedge with one S(2)Nd2Mg2 tetrahedra. In the third S site, S(3) is bonded to one Mg(1), one Nd(1), one Nd(3), and one Nd(4) atom to form distorted SNd3Mg tetrahedra that share  a cornercorner with one S(1)Nd2Mg2 tetrahedra,  a cornercorner with one S(2)Nd2Mg2 tetrahedra,  a cornercorner with one S(8)Nd2Mg2 tetrahedra, corners with two equivalent S(5)Nd3Mg tetrahedra, corners with two equivalent S(6)Nd3Mg tetrahedra,  an edgeedge with one S(5)Nd3Mg tetrahedra, and  an edgeedge with one S(6)Nd3Mg tetrahedra. In the fourth S site, S(4) is bonded in a trigonal planar geometry to one Nd(1), one Nd(3), and one Nd(4) atom. In the fifth S site, S(5) is bonded to one Mg(1), one Nd(1), and two equivalent Nd(4) atoms to form distorted SNd3Mg tetrahedra that share  a cornercorner with one S(1)Nd2Mg2 tetrahedra,  a cornercorner with one S(2)Nd2Mg2 tetrahedra, corners with two equivalent S(3)Nd3Mg tetrahedra, corners with two equivalent S(6)Nd3Mg tetrahedra,  an edgeedge with one S(3)Nd3Mg tetrahedra, and  an edgeedge with one S(5)Nd3Mg tetrahedra. In the sixth S site, S(6) is bonded to one Mg(1), one Nd(1), and two equivalent Nd(3) atoms to form distorted SNd3Mg tetrahedra that share  a cornercorner with one S(1)Nd2Mg2 tetrahedra,  a cornercorner with one S(2)Nd2Mg2 tetrahedra, corners with two equivalent S(8)Nd2Mg2 tetrahedra, corners with two equivalent S(3)Nd3Mg tetrahedra, corners with two equivalent S(5)Nd3Mg tetrahedra,  an edgeedge with one S(3)Nd3Mg tetrahedra, and  an edgeedge with one S(6)Nd3Mg tetrahedra. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Mg(2), one Nd(4), and two equivalent Nd(2) atoms. In the eighth S site, S(8) is bonded to two equivalent Mg(2), one Nd(2), and one Nd(3) atom to form SNd2Mg2 tetrahedra that share  a cornercorner with one S(3)Nd3Mg tetrahedra, corners with two equivalent S(6)Nd3Mg tetrahedra, corners with three equivalent S(1)Nd2Mg2 tetrahedra, corners with four equivalent S(2)Nd2Mg2 tetrahedra,  an edgeedge with one S(1)Nd2Mg2 tetrahedra, and  an edgeedge with one S(8)Nd2Mg2 tetrahedra. is represented by the CIF file [CIF]
data_Nd2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.624
_cell_length_b   8.901
_cell_length_c   11.942
_cell_angle_alpha   79.797
_cell_angle_beta   83.569
_cell_angle_gamma   91.222
_symmetry_Int_Tables_number   1
_cell_volume   791.886
_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  0.136  0.706  0.658  1.0
  Nd  Nd1  1  0.864  0.294  0.342  1.0
  Nd  Nd2  1  0.248  0.870  0.997  1.0
  Nd  Nd3  1  0.752  0.130  0.003  1.0
  Nd  Nd4  1  0.369  0.553  0.335  1.0
  Nd  Nd5  1  0.631  0.447  0.665  1.0
  Nd  Nd6  1  0.361  0.027  0.346  1.0
  Nd  Nd7  1  0.639  0.973  0.654  1.0
  Mg  Mg8  1  0.140  0.207  0.686  1.0
  Mg  Mg9  1  0.860  0.793  0.314  1.0
  Mg  Mg10  1  0.248  0.389  0.993  1.0
  Mg  Mg11  1  0.752  0.611  0.007  1.0
  S  S12  1  0.099  0.640  0.888  1.0
  S  S13  1  0.901  0.360  0.112  1.0
  S  S14  1  0.115  0.166  0.892  1.0
  S  S15  1  0.885  0.834  0.108  1.0
  S  S16  1  0.149  0.771  0.394  1.0
  S  S17  1  0.851  0.229  0.606  1.0
  S  S18  1  0.201  0.280  0.378  1.0
  S  S19  1  0.799  0.720  0.622  1.0
  S  S20  1  0.296  0.994  0.609  1.0
  S  S21  1  0.704  0.006  0.391  1.0
  S  S22  1  0.300  0.455  0.603  1.0
  S  S23  1  0.700  0.545  0.397  1.0
  S  S24  1  0.397  0.086  0.117  1.0
  S  S25  1  0.603  0.914  0.883  1.0
  S  S26  1  0.404  0.589  0.105  1.0
  S  S27  1  0.596  0.411  0.895  1.0
[/CIF]
.