The structure described by MgPr2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with two equivalent Pr(1)S6 octahedra, corners with four equivalent Pr(2)S6 octahedra,  an edgeedge with one Pr(2)S6 octahedra, and edges with two equivalent Pr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form PrS6 octahedra that share corners with four equivalent Pr(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Pr(1)S6 octahedra, edges with two equivalent Pr(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second Pr site, Pr(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form PrS6 octahedra that share corners with four equivalent Pr(1)S6 octahedra, corners with four equivalent Pr(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Pr(1)S6 octahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Pr(1), and two equivalent Pr(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Pr(2), and two equivalent Pr(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Pr(2), and two equivalent Pr(1) atoms to form distorted corner-sharing SPr3Mg tetrahedra. is represented by the CIF card [CIF]
data_Pr2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.126
_cell_length_b   8.297
_cell_length_c   6.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   782.595
_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  0.000  0.000  0.500  1.0
  Pr  Pr1  1  0.500  0.000  0.000  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Pr  Pr3  1  0.000  0.500  0.500  1.0
  Pr  Pr4  1  0.230  0.750  0.998  1.0
  Pr  Pr5  1  0.770  0.250  0.002  1.0
  Pr  Pr6  1  0.270  0.250  0.498  1.0
  Pr  Pr7  1  0.730  0.750  0.502  1.0
  Mg  Mg8  1  0.093  0.250  0.923  1.0
  Mg  Mg9  1  0.907  0.750  0.077  1.0
  Mg  Mg10  1  0.407  0.750  0.423  1.0
  Mg  Mg11  1  0.593  0.250  0.577  1.0
  S  S12  1  0.167  0.019  0.751  1.0
  S  S13  1  0.833  0.981  0.249  1.0
  S  S14  1  0.333  0.981  0.251  1.0
  S  S15  1  0.667  0.019  0.749  1.0
  S  S16  1  0.667  0.481  0.749  1.0
  S  S17  1  0.333  0.519  0.251  1.0
  S  S18  1  0.833  0.519  0.249  1.0
  S  S19  1  0.167  0.481  0.751  1.0
  S  S20  1  0.066  0.750  0.241  1.0
  S  S21  1  0.934  0.250  0.759  1.0
  S  S22  1  0.434  0.250  0.741  1.0
  S  S23  1  0.566  0.750  0.259  1.0
  S  S24  1  0.093  0.250  0.285  1.0
  S  S25  1  0.907  0.750  0.715  1.0
  S  S26  1  0.407  0.750  0.785  1.0
  S  S27  1  0.593  0.250  0.215  1.0
[/CIF]
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The structure described by MgPr2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with two equivalent Pr(1)S6 octahedra, corners with four equivalent Pr(2)S6 octahedra,  an edgeedge with one Pr(2)S6 octahedra, and edges with two equivalent Pr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form PrS6 octahedra that share corners with four equivalent Pr(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Pr(1)S6 octahedra, edges with two equivalent Pr(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second Pr site, Pr(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form PrS6 octahedra that share corners with four equivalent Pr(1)S6 octahedra, corners with four equivalent Pr(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Pr(1)S6 octahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Pr(1), and two equivalent Pr(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Pr(2), and two equivalent Pr(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Pr(2), and two equivalent Pr(1) atoms to form distorted corner-sharing SPr3Mg tetrahedra. is represented by the CIF card [CIF]
data_Pr2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.126
_cell_length_b   8.297
_cell_length_c   6.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   782.595
_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  0.000  0.000  0.500  1.0
  Pr  Pr1  1  0.500  0.000  0.000  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Pr  Pr3  1  0.000  0.500  0.500  1.0
  Pr  Pr4  1  0.230  0.750  0.998  1.0
  Pr  Pr5  1  0.770  0.250  0.002  1.0
  Pr  Pr6  1  0.270  0.250  0.498  1.0
  Pr  Pr7  1  0.730  0.750  0.502  1.0
  Mg  Mg8  1  0.093  0.250  0.923  1.0
  Mg  Mg9  1  0.907  0.750  0.077  1.0
  Mg  Mg10  1  0.407  0.750  0.423  1.0
  Mg  Mg11  1  0.593  0.250  0.577  1.0
  S  S12  1  0.167  0.019  0.751  1.0
  S  S13  1  0.833  0.981  0.249  1.0
  S  S14  1  0.333  0.981  0.251  1.0
  S  S15  1  0.667  0.019  0.749  1.0
  S  S16  1  0.667  0.481  0.749  1.0
  S  S17  1  0.333  0.519  0.251  1.0
  S  S18  1  0.833  0.519  0.249  1.0
  S  S19  1  0.167  0.481  0.751  1.0
  S  S20  1  0.066  0.750  0.241  1.0
  S  S21  1  0.934  0.250  0.759  1.0
  S  S22  1  0.434  0.250  0.741  1.0
  S  S23  1  0.566  0.750  0.259  1.0
  S  S24  1  0.093  0.250  0.285  1.0
  S  S25  1  0.907  0.750  0.715  1.0
  S  S26  1  0.407  0.750  0.785  1.0
  S  S27  1  0.593  0.250  0.215  1.0
[/CIF]
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