The crystal structure described by MgSm2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a trigonal pyramidal geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(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 Sm site, Sm(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 in a 5-coordinate geometry to one Mg(1), two equivalent Sm(1), and two equivalent Sm(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Sm(1), and one Sm(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sm(2), and two 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   8.123
_cell_length_b   7.277
_cell_length_c   11.647
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   688.441
_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
  Sm  Sm0  1  0.035  0.750  0.312  1.0
  Sm  Sm1  1  0.965  0.250  0.688  1.0
  Sm  Sm2  1  0.465  0.250  0.812  1.0
  Sm  Sm3  1  0.535  0.750  0.188  1.0
  Sm  Sm4  1  0.080  0.250  0.028  1.0
  Sm  Sm5  1  0.920  0.750  0.972  1.0
  Sm  Sm6  1  0.420  0.750  0.528  1.0
  Sm  Sm7  1  0.580  0.250  0.472  1.0
  Mg  Mg8  1  0.187  0.250  0.413  1.0
  Mg  Mg9  1  0.813  0.750  0.587  1.0
  Mg  Mg10  1  0.313  0.750  0.913  1.0
  Mg  Mg11  1  0.687  0.250  0.087  1.0
  S  S12  1  0.137  0.498  0.845  1.0
  S  S13  1  0.863  0.502  0.155  1.0
  S  S14  1  0.363  0.502  0.345  1.0
  S  S15  1  0.637  0.498  0.655  1.0
  S  S16  1  0.637  0.002  0.655  1.0
  S  S17  1  0.363  0.998  0.345  1.0
  S  S18  1  0.863  0.998  0.155  1.0
  S  S19  1  0.137  0.002  0.845  1.0
  S  S20  1  0.905  0.250  0.450  1.0
  S  S21  1  0.095  0.750  0.550  1.0
  S  S22  1  0.595  0.750  0.950  1.0
  S  S23  1  0.405  0.250  0.050  1.0
  S  S24  1  0.212  0.750  0.109  1.0
  S  S25  1  0.788  0.250  0.891  1.0
  S  S26  1  0.288  0.250  0.609  1.0
  S  S27  1  0.712  0.750  0.391  1.0
[/CIF]
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The crystal structure described by MgSm2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a trigonal pyramidal geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(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 Sm site, Sm(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 in a 5-coordinate geometry to one Mg(1), two equivalent Sm(1), and two equivalent Sm(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Sm(1), and one Sm(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sm(2), and two 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   8.123
_cell_length_b   7.277
_cell_length_c   11.647
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   688.441
_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
  Sm  Sm0  1  0.035  0.750  0.312  1.0
  Sm  Sm1  1  0.965  0.250  0.688  1.0
  Sm  Sm2  1  0.465  0.250  0.812  1.0
  Sm  Sm3  1  0.535  0.750  0.188  1.0
  Sm  Sm4  1  0.080  0.250  0.028  1.0
  Sm  Sm5  1  0.920  0.750  0.972  1.0
  Sm  Sm6  1  0.420  0.750  0.528  1.0
  Sm  Sm7  1  0.580  0.250  0.472  1.0
  Mg  Mg8  1  0.187  0.250  0.413  1.0
  Mg  Mg9  1  0.813  0.750  0.587  1.0
  Mg  Mg10  1  0.313  0.750  0.913  1.0
  Mg  Mg11  1  0.687  0.250  0.087  1.0
  S  S12  1  0.137  0.498  0.845  1.0
  S  S13  1  0.863  0.502  0.155  1.0
  S  S14  1  0.363  0.502  0.345  1.0
  S  S15  1  0.637  0.498  0.655  1.0
  S  S16  1  0.637  0.002  0.655  1.0
  S  S17  1  0.363  0.998  0.345  1.0
  S  S18  1  0.863  0.998  0.155  1.0
  S  S19  1  0.137  0.002  0.845  1.0
  S  S20  1  0.905  0.250  0.450  1.0
  S  S21  1  0.095  0.750  0.550  1.0
  S  S22  1  0.595  0.750  0.950  1.0
  S  S23  1  0.405  0.250  0.050  1.0
  S  S24  1  0.212  0.750  0.109  1.0
  S  S25  1  0.788  0.250  0.891  1.0
  S  S26  1  0.288  0.250  0.609  1.0
  S  S27  1  0.712  0.750  0.391  1.0
[/CIF]
.