The compound described by MgSm2S4 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 Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles are 56°. Sm(1) is bonded to six equivalent S(1) atoms to form SmS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Sm(1)S6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.046
_cell_length_b   8.046
_cell_length_c   8.046
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   368.315
_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
  Sm  Sm0  1  0.625  0.125  0.625  1.0
  Sm  Sm1  1  0.625  0.625  0.125  1.0
  Sm  Sm2  1  0.125  0.625  0.625  1.0
  Sm  Sm3  1  0.625  0.625  0.625  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.250  0.250  0.250  1.0
  S  S6  1  0.379  0.379  0.379  1.0
  S  S7  1  0.864  0.379  0.379  1.0
  S  S8  1  0.379  0.864  0.379  1.0
  S  S9  1  0.379  0.379  0.864  1.0
  S  S10  1  0.871  0.871  0.386  1.0
  S  S11  1  0.871  0.386  0.871  1.0
  S  S12  1  0.386  0.871  0.871  1.0
  S  S13  1  0.871  0.871  0.871  1.0
[/CIF]
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The compound described by MgSm2S4 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 Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles are 56°. Sm(1) is bonded to six equivalent S(1) atoms to form SmS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Sm(1)S6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.046
_cell_length_b   8.046
_cell_length_c   8.046
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   368.315
_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
  Sm  Sm0  1  0.625  0.125  0.625  1.0
  Sm  Sm1  1  0.625  0.625  0.125  1.0
  Sm  Sm2  1  0.125  0.625  0.625  1.0
  Sm  Sm3  1  0.625  0.625  0.625  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.250  0.250  0.250  1.0
  S  S6  1  0.379  0.379  0.379  1.0
  S  S7  1  0.864  0.379  0.379  1.0
  S  S8  1  0.379  0.864  0.379  1.0
  S  S9  1  0.379  0.379  0.864  1.0
  S  S10  1  0.871  0.871  0.386  1.0
  S  S11  1  0.871  0.386  0.871  1.0
  S  S12  1  0.386  0.871  0.871  1.0
  S  S13  1  0.871  0.871  0.871  1.0
[/CIF]
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