The crystal structure described by MgLa2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent S(4) and three equivalent S(1) atoms to form MgS5 square pyramids that share corners with two equivalent La(1)S6 octahedra, corners with two equivalent La(2)S6 octahedra,  an edgeedge with one La(1)S6 octahedra, edges with three equivalent La(2)S6 octahedra, and edges with four equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 5-6°. There are two inequivalent La sites. In the first La site, La(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form LaS6 octahedra that share corners with three equivalent La(2)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent La(2)S6 octahedra, edges with four equivalent La(1)S6 octahedra, and  an edgeedge with one Mg(1)S5 square pyramid. The corner-sharing octahedral tilt angles range from 56-61°. In the second La site, La(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form LaS6 octahedra that share corners with three equivalent La(1)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(2)S6 octahedra, and edges with three equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 56-61°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and two equivalent La(2) atoms to form SLa2Mg3 square pyramids that share corners with two equivalent S(4)La3Mg2 square pyramids, edges with three equivalent S(4)La3Mg2 square pyramids, and edges with four equivalent S(1)La2Mg3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one La(2) and three equivalent La(1) atoms. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one La(1) and two equivalent La(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one La(2), and two equivalent La(1) atoms to form SLa3Mg2 square pyramids that share corners with two equivalent S(1)La2Mg3 square pyramids, edges with two equivalent S(4)La3Mg2 square pyramids, and edges with three equivalent S(1)La2Mg3 square pyramids. is represented by the CIF file [CIF]
data_La2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.042
_cell_length_b   13.248
_cell_length_c   14.143
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   757.328
_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
  La  La0  1  0.250  0.124  0.075  1.0
  La  La1  1  0.750  0.876  0.925  1.0
  La  La2  1  0.750  0.376  0.575  1.0
  La  La3  1  0.250  0.624  0.425  1.0
  La  La4  1  0.250  0.128  0.710  1.0
  La  La5  1  0.750  0.872  0.290  1.0
  La  La6  1  0.750  0.372  0.210  1.0
  La  La7  1  0.250  0.628  0.790  1.0
  Mg  Mg8  1  0.750  0.105  0.465  1.0
  Mg  Mg9  1  0.250  0.895  0.535  1.0
  Mg  Mg10  1  0.250  0.395  0.965  1.0
  Mg  Mg11  1  0.750  0.605  0.035  1.0
  S  S12  1  0.750  0.999  0.613  1.0
  S  S13  1  0.250  0.001  0.387  1.0
  S  S14  1  0.250  0.501  0.113  1.0
  S  S15  1  0.750  0.499  0.887  1.0
  S  S16  1  0.250  0.022  0.889  1.0
  S  S17  1  0.750  0.978  0.111  1.0
  S  S18  1  0.750  0.477  0.389  1.0
  S  S19  1  0.250  0.522  0.611  1.0
  S  S20  1  0.250  0.234  0.246  1.0
  S  S21  1  0.750  0.766  0.754  1.0
  S  S22  1  0.750  0.266  0.746  1.0
  S  S23  1  0.250  0.734  0.254  1.0
  S  S24  1  0.750  0.273  0.019  1.0
  S  S25  1  0.250  0.727  0.981  1.0
  S  S26  1  0.250  0.227  0.519  1.0
  S  S27  1  0.750  0.773  0.481  1.0
[/CIF]
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The crystal structure described by MgLa2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent S(4) and three equivalent S(1) atoms to form MgS5 square pyramids that share corners with two equivalent La(1)S6 octahedra, corners with two equivalent La(2)S6 octahedra,  an edgeedge with one La(1)S6 octahedra, edges with three equivalent La(2)S6 octahedra, and edges with four equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 5-6°. There are two inequivalent La sites. In the first La site, La(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form LaS6 octahedra that share corners with three equivalent La(2)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent La(2)S6 octahedra, edges with four equivalent La(1)S6 octahedra, and  an edgeedge with one Mg(1)S5 square pyramid. The corner-sharing octahedral tilt angles range from 56-61°. In the second La site, La(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form LaS6 octahedra that share corners with three equivalent La(1)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(2)S6 octahedra, and edges with three equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 56-61°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and two equivalent La(2) atoms to form SLa2Mg3 square pyramids that share corners with two equivalent S(4)La3Mg2 square pyramids, edges with three equivalent S(4)La3Mg2 square pyramids, and edges with four equivalent S(1)La2Mg3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one La(2) and three equivalent La(1) atoms. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one La(1) and two equivalent La(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one La(2), and two equivalent La(1) atoms to form SLa3Mg2 square pyramids that share corners with two equivalent S(1)La2Mg3 square pyramids, edges with two equivalent S(4)La3Mg2 square pyramids, and edges with three equivalent S(1)La2Mg3 square pyramids. is represented by the CIF file [CIF]
data_La2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.042
_cell_length_b   13.248
_cell_length_c   14.143
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   757.328
_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
  La  La0  1  0.250  0.124  0.075  1.0
  La  La1  1  0.750  0.876  0.925  1.0
  La  La2  1  0.750  0.376  0.575  1.0
  La  La3  1  0.250  0.624  0.425  1.0
  La  La4  1  0.250  0.128  0.710  1.0
  La  La5  1  0.750  0.872  0.290  1.0
  La  La6  1  0.750  0.372  0.210  1.0
  La  La7  1  0.250  0.628  0.790  1.0
  Mg  Mg8  1  0.750  0.105  0.465  1.0
  Mg  Mg9  1  0.250  0.895  0.535  1.0
  Mg  Mg10  1  0.250  0.395  0.965  1.0
  Mg  Mg11  1  0.750  0.605  0.035  1.0
  S  S12  1  0.750  0.999  0.613  1.0
  S  S13  1  0.250  0.001  0.387  1.0
  S  S14  1  0.250  0.501  0.113  1.0
  S  S15  1  0.750  0.499  0.887  1.0
  S  S16  1  0.250  0.022  0.889  1.0
  S  S17  1  0.750  0.978  0.111  1.0
  S  S18  1  0.750  0.477  0.389  1.0
  S  S19  1  0.250  0.522  0.611  1.0
  S  S20  1  0.250  0.234  0.246  1.0
  S  S21  1  0.750  0.766  0.754  1.0
  S  S22  1  0.750  0.266  0.746  1.0
  S  S23  1  0.250  0.734  0.254  1.0
  S  S24  1  0.750  0.273  0.019  1.0
  S  S25  1  0.250  0.727  0.981  1.0
  S  S26  1  0.250  0.227  0.519  1.0
  S  S27  1  0.750  0.773  0.481  1.0
[/CIF]
.