The compound described by MgPr2S4 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 Pr sites. In the first Pr site, Pr(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 Pr site, Pr(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 Pr(1), and two equivalent Pr(2) atoms to form a mixture of distorted face, edge, and corner-sharing SPr4Mg square pyramids. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Pr(1), and one Pr(2) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Pr(2), and two equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.136
_cell_length_b   8.320
_cell_length_c   11.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   703.996
_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
  Pr  Pr0  1  0.750  0.030  0.316  1.0
  Pr  Pr1  1  0.250  0.970  0.684  1.0
  Pr  Pr2  1  0.250  0.470  0.816  1.0
  Pr  Pr3  1  0.750  0.530  0.184  1.0
  Pr  Pr4  1  0.250  0.092  0.040  1.0
  Pr  Pr5  1  0.750  0.908  0.960  1.0
  Pr  Pr6  1  0.750  0.408  0.540  1.0
  Pr  Pr7  1  0.250  0.592  0.460  1.0
  Mg  Mg8  1  0.250  0.196  0.419  1.0
  Mg  Mg9  1  0.750  0.804  0.581  1.0
  Mg  Mg10  1  0.750  0.304  0.919  1.0
  Mg  Mg11  1  0.250  0.696  0.081  1.0
  S  S12  1  0.492  0.146  0.848  1.0
  S  S13  1  0.508  0.854  0.152  1.0
  S  S14  1  0.508  0.354  0.348  1.0
  S  S15  1  0.492  0.646  0.652  1.0
  S  S16  1  0.008  0.646  0.652  1.0
  S  S17  1  0.992  0.354  0.348  1.0
  S  S18  1  0.992  0.854  0.152  1.0
  S  S19  1  0.008  0.146  0.848  1.0
  S  S20  1  0.250  0.918  0.441  1.0
  S  S21  1  0.750  0.082  0.559  1.0
  S  S22  1  0.750  0.582  0.941  1.0
  S  S23  1  0.250  0.418  0.059  1.0
  S  S24  1  0.750  0.202  0.109  1.0
  S  S25  1  0.250  0.798  0.891  1.0
  S  S26  1  0.250  0.298  0.609  1.0
  S  S27  1  0.750  0.702  0.391  1.0
[/CIF]
.
The compound described by MgPr2S4 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 Pr sites. In the first Pr site, Pr(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 Pr site, Pr(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 Pr(1), and two equivalent Pr(2) atoms to form a mixture of distorted face, edge, and corner-sharing SPr4Mg square pyramids. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Pr(1), and one Pr(2) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Pr(2), and two equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.136
_cell_length_b   8.320
_cell_length_c   11.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   703.996
_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
  Pr  Pr0  1  0.750  0.030  0.316  1.0
  Pr  Pr1  1  0.250  0.970  0.684  1.0
  Pr  Pr2  1  0.250  0.470  0.816  1.0
  Pr  Pr3  1  0.750  0.530  0.184  1.0
  Pr  Pr4  1  0.250  0.092  0.040  1.0
  Pr  Pr5  1  0.750  0.908  0.960  1.0
  Pr  Pr6  1  0.750  0.408  0.540  1.0
  Pr  Pr7  1  0.250  0.592  0.460  1.0
  Mg  Mg8  1  0.250  0.196  0.419  1.0
  Mg  Mg9  1  0.750  0.804  0.581  1.0
  Mg  Mg10  1  0.750  0.304  0.919  1.0
  Mg  Mg11  1  0.250  0.696  0.081  1.0
  S  S12  1  0.492  0.146  0.848  1.0
  S  S13  1  0.508  0.854  0.152  1.0
  S  S14  1  0.508  0.354  0.348  1.0
  S  S15  1  0.492  0.646  0.652  1.0
  S  S16  1  0.008  0.646  0.652  1.0
  S  S17  1  0.992  0.354  0.348  1.0
  S  S18  1  0.992  0.854  0.152  1.0
  S  S19  1  0.008  0.146  0.848  1.0
  S  S20  1  0.250  0.918  0.441  1.0
  S  S21  1  0.750  0.082  0.559  1.0
  S  S22  1  0.750  0.582  0.941  1.0
  S  S23  1  0.250  0.418  0.059  1.0
  S  S24  1  0.750  0.202  0.109  1.0
  S  S25  1  0.250  0.798  0.891  1.0
  S  S26  1  0.250  0.298  0.609  1.0
  S  S27  1  0.750  0.702  0.391  1.0
[/CIF]
.