The material described by MgCe2S4 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 Ce(1)S6 octahedra, corners with four equivalent Ce(2)S6 octahedra,  an edgeedge with one Ce(2)S6 octahedra, and edges with two equivalent Ce(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CeS6 octahedra that share corners with four equivalent Ce(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ce(1)S6 octahedra, edges with two equivalent Ce(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the second Ce site, Ce(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form CeS6 octahedra that share corners with four equivalent Ce(1)S6 octahedra, corners with four equivalent Ce(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ce(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 Ce(1), and two equivalent Ce(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ce(2), and two equivalent Ce(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Ce(2), and two equivalent Ce(1) atoms to form distorted corner-sharing SCe3Mg tetrahedra. is represented by the CIF file [CIF]
data_Ce2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.066
_cell_length_b   8.341
_cell_length_c   6.641
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   779.209
_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
  Ce  Ce0  1  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.500  0.000  0.000  1.0
  Ce  Ce2  1  0.500  0.500  0.000  1.0
  Ce  Ce3  1  0.000  0.500  0.500  1.0
  Ce  Ce4  1  0.231  0.750  0.999  1.0
  Ce  Ce5  1  0.769  0.250  0.001  1.0
  Ce  Ce6  1  0.269  0.250  0.499  1.0
  Ce  Ce7  1  0.731  0.750  0.501  1.0
  Mg  Mg8  1  0.093  0.250  0.922  1.0
  Mg  Mg9  1  0.907  0.750  0.078  1.0
  Mg  Mg10  1  0.407  0.750  0.422  1.0
  Mg  Mg11  1  0.593  0.250  0.578  1.0
  S  S12  1  0.167  0.019  0.749  1.0
  S  S13  1  0.833  0.981  0.251  1.0
  S  S14  1  0.333  0.981  0.249  1.0
  S  S15  1  0.667  0.019  0.751  1.0
  S  S16  1  0.667  0.481  0.751  1.0
  S  S17  1  0.333  0.519  0.249  1.0
  S  S18  1  0.833  0.519  0.251  1.0
  S  S19  1  0.167  0.481  0.749  1.0
  S  S20  1  0.065  0.750  0.243  1.0
  S  S21  1  0.935  0.250  0.757  1.0
  S  S22  1  0.435  0.250  0.743  1.0
  S  S23  1  0.565  0.750  0.257  1.0
  S  S24  1  0.093  0.250  0.287  1.0
  S  S25  1  0.907  0.750  0.713  1.0
  S  S26  1  0.407  0.750  0.787  1.0
  S  S27  1  0.593  0.250  0.213  1.0
[/CIF]
.
The material described by MgCe2S4 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 Ce(1)S6 octahedra, corners with four equivalent Ce(2)S6 octahedra,  an edgeedge with one Ce(2)S6 octahedra, and edges with two equivalent Ce(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CeS6 octahedra that share corners with four equivalent Ce(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ce(1)S6 octahedra, edges with two equivalent Ce(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the second Ce site, Ce(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form CeS6 octahedra that share corners with four equivalent Ce(1)S6 octahedra, corners with four equivalent Ce(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ce(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 Ce(1), and two equivalent Ce(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ce(2), and two equivalent Ce(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Ce(2), and two equivalent Ce(1) atoms to form distorted corner-sharing SCe3Mg tetrahedra. is represented by the CIF file [CIF]
data_Ce2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.066
_cell_length_b   8.341
_cell_length_c   6.641
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   779.209
_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
  Ce  Ce0  1  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.500  0.000  0.000  1.0
  Ce  Ce2  1  0.500  0.500  0.000  1.0
  Ce  Ce3  1  0.000  0.500  0.500  1.0
  Ce  Ce4  1  0.231  0.750  0.999  1.0
  Ce  Ce5  1  0.769  0.250  0.001  1.0
  Ce  Ce6  1  0.269  0.250  0.499  1.0
  Ce  Ce7  1  0.731  0.750  0.501  1.0
  Mg  Mg8  1  0.093  0.250  0.922  1.0
  Mg  Mg9  1  0.907  0.750  0.078  1.0
  Mg  Mg10  1  0.407  0.750  0.422  1.0
  Mg  Mg11  1  0.593  0.250  0.578  1.0
  S  S12  1  0.167  0.019  0.749  1.0
  S  S13  1  0.833  0.981  0.251  1.0
  S  S14  1  0.333  0.981  0.249  1.0
  S  S15  1  0.667  0.019  0.751  1.0
  S  S16  1  0.667  0.481  0.751  1.0
  S  S17  1  0.333  0.519  0.249  1.0
  S  S18  1  0.833  0.519  0.251  1.0
  S  S19  1  0.167  0.481  0.749  1.0
  S  S20  1  0.065  0.750  0.243  1.0
  S  S21  1  0.935  0.250  0.757  1.0
  S  S22  1  0.435  0.250  0.743  1.0
  S  S23  1  0.565  0.750  0.257  1.0
  S  S24  1  0.093  0.250  0.287  1.0
  S  S25  1  0.907  0.750  0.713  1.0
  S  S26  1  0.407  0.750  0.787  1.0
  S  S27  1  0.593  0.250  0.213  1.0
[/CIF]
.