The material structure described by MgLa2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a distorted trigonal pyramidal geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent La sites. In the first La site, La(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 La site, La(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 La(1), and two equivalent La(2) atoms to form a mixture of distorted face, corner, and edge-sharing SLa4Mg square pyramids. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one La(1), and one La(2) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mg(1), one La(2), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.383
_cell_length_b   7.165
_cell_length_c   11.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   715.281
_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  0.023  0.750  0.315  1.0
  La  La1  1  0.977  0.250  0.685  1.0
  La  La2  1  0.477  0.250  0.815  1.0
  La  La3  1  0.523  0.750  0.185  1.0
  La  La4  1  0.095  0.250  0.041  1.0
  La  La5  1  0.905  0.750  0.959  1.0
  La  La6  1  0.405  0.750  0.541  1.0
  La  La7  1  0.595  0.250  0.459  1.0
  Mg  Mg8  1  0.196  0.250  0.418  1.0
  Mg  Mg9  1  0.804  0.750  0.582  1.0
  Mg  Mg10  1  0.304  0.750  0.918  1.0
  Mg  Mg11  1  0.696  0.250  0.082  1.0
  S  S12  1  0.149  0.492  0.848  1.0
  S  S13  1  0.851  0.508  0.152  1.0
  S  S14  1  0.351  0.508  0.348  1.0
  S  S15  1  0.649  0.492  0.652  1.0
  S  S16  1  0.649  0.008  0.652  1.0
  S  S17  1  0.351  0.992  0.348  1.0
  S  S18  1  0.851  0.992  0.152  1.0
  S  S19  1  0.149  0.008  0.848  1.0
  S  S20  1  0.920  0.250  0.442  1.0
  S  S21  1  0.080  0.750  0.558  1.0
  S  S22  1  0.580  0.750  0.942  1.0
  S  S23  1  0.420  0.250  0.058  1.0
  S  S24  1  0.196  0.750  0.107  1.0
  S  S25  1  0.804  0.250  0.893  1.0
  S  S26  1  0.304  0.250  0.607  1.0
  S  S27  1  0.696  0.750  0.393  1.0
[/CIF]
.
The material structure described by MgLa2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a distorted trigonal pyramidal geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent La sites. In the first La site, La(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 La site, La(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 La(1), and two equivalent La(2) atoms to form a mixture of distorted face, corner, and edge-sharing SLa4Mg square pyramids. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one La(1), and one La(2) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mg(1), one La(2), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.383
_cell_length_b   7.165
_cell_length_c   11.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   715.281
_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  0.023  0.750  0.315  1.0
  La  La1  1  0.977  0.250  0.685  1.0
  La  La2  1  0.477  0.250  0.815  1.0
  La  La3  1  0.523  0.750  0.185  1.0
  La  La4  1  0.095  0.250  0.041  1.0
  La  La5  1  0.905  0.750  0.959  1.0
  La  La6  1  0.405  0.750  0.541  1.0
  La  La7  1  0.595  0.250  0.459  1.0
  Mg  Mg8  1  0.196  0.250  0.418  1.0
  Mg  Mg9  1  0.804  0.750  0.582  1.0
  Mg  Mg10  1  0.304  0.750  0.918  1.0
  Mg  Mg11  1  0.696  0.250  0.082  1.0
  S  S12  1  0.149  0.492  0.848  1.0
  S  S13  1  0.851  0.508  0.152  1.0
  S  S14  1  0.351  0.508  0.348  1.0
  S  S15  1  0.649  0.492  0.652  1.0
  S  S16  1  0.649  0.008  0.652  1.0
  S  S17  1  0.351  0.992  0.348  1.0
  S  S18  1  0.851  0.992  0.152  1.0
  S  S19  1  0.149  0.008  0.848  1.0
  S  S20  1  0.920  0.250  0.442  1.0
  S  S21  1  0.080  0.750  0.558  1.0
  S  S22  1  0.580  0.750  0.942  1.0
  S  S23  1  0.420  0.250  0.058  1.0
  S  S24  1  0.196  0.750  0.107  1.0
  S  S25  1  0.804  0.250  0.893  1.0
  S  S26  1  0.304  0.250  0.607  1.0
  S  S27  1  0.696  0.750  0.393  1.0
[/CIF]
.