The material structure described by MgCe2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with twelve equivalent Ce(1)S6 octahedra. The corner-sharing octahedral tilt angles are 55°. Ce(1) is bonded to six equivalent S(1) atoms to form CeS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Ce(1)S6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.117
_cell_length_b   8.117
_cell_length_c   8.117
_cell_angle_alpha   59.998
_cell_angle_beta   90.004
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   378.096
_cell_formula_units_Z   2
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  0.375  0.250  0.375  1.0
  Ce  Ce1  1  0.375  0.750  0.875  1.0
  Ce  Ce2  1  0.375  0.750  0.375  1.0
  Ce  Ce3  1  0.875  0.250  0.375  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.500  0.750  1.0
  S  S6  1  0.130  0.754  0.623  1.0
  S  S7  1  0.623  0.246  0.623  1.0
  S  S8  1  0.623  0.754  0.623  1.0
  S  S9  1  0.623  0.246  0.130  1.0
  S  S10  1  0.127  0.254  0.620  1.0
  S  S11  1  0.127  0.746  0.127  1.0
  S  S12  1  0.127  0.254  0.127  1.0
  S  S13  1  0.620  0.746  0.127  1.0
[/CIF]
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The material structure described by MgCe2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with twelve equivalent Ce(1)S6 octahedra. The corner-sharing octahedral tilt angles are 55°. Ce(1) is bonded to six equivalent S(1) atoms to form CeS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Ce(1)S6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.117
_cell_length_b   8.117
_cell_length_c   8.117
_cell_angle_alpha   59.998
_cell_angle_beta   90.004
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   378.096
_cell_formula_units_Z   2
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  0.375  0.250  0.375  1.0
  Ce  Ce1  1  0.375  0.750  0.875  1.0
  Ce  Ce2  1  0.375  0.750  0.375  1.0
  Ce  Ce3  1  0.875  0.250  0.375  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.500  0.750  1.0
  S  S6  1  0.130  0.754  0.623  1.0
  S  S7  1  0.623  0.246  0.623  1.0
  S  S8  1  0.623  0.754  0.623  1.0
  S  S9  1  0.623  0.246  0.130  1.0
  S  S10  1  0.127  0.254  0.620  1.0
  S  S11  1  0.127  0.746  0.127  1.0
  S  S12  1  0.127  0.254  0.127  1.0
  S  S13  1  0.620  0.746  0.127  1.0
[/CIF]
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