The material structure described by MgYb2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 4-coordinate geometry to one S(3), two equivalent S(1), and three equivalent S(2) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), and four equivalent S(1) atoms. In the second Yb site, Yb(2) is bonded to one S(2), two equivalent S(1), and three equivalent S(3) atoms to form a mixture of distorted edge and corner-sharing YbS6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(2), two equivalent Yb(1), and one S(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Mg(1), one Yb(2), and two equivalent Yb(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(1), and three equivalent Yb(2) atoms. is represented by the CIF card [CIF]
data_Yb2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.275
_cell_length_b   5.243
_cell_length_c   13.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.904
_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
  Yb  Yb0  1  0.991  0.750  0.296  1.0
  Yb  Yb1  1  0.009  0.250  0.704  1.0
  Yb  Yb2  1  0.509  0.250  0.796  1.0
  Yb  Yb3  1  0.491  0.750  0.204  1.0
  Yb  Yb4  1  0.128  0.250  0.031  1.0
  Yb  Yb5  1  0.872  0.750  0.969  1.0
  Yb  Yb6  1  0.372  0.750  0.531  1.0
  Yb  Yb7  1  0.628  0.250  0.469  1.0
  Mg  Mg8  1  0.162  0.250  0.474  1.0
  Mg  Mg9  1  0.838  0.750  0.526  1.0
  Mg  Mg10  1  0.338  0.750  0.974  1.0
  Mg  Mg11  1  0.662  0.250  0.026  1.0
  S  S12  1  0.225  0.448  0.837  1.0
  S  S13  1  0.775  0.552  0.163  1.0
  S  S14  1  0.275  0.552  0.337  1.0
  S  S15  1  0.725  0.448  0.663  1.0
  S  S16  1  0.725  0.052  0.663  1.0
  S  S17  1  0.275  0.948  0.337  1.0
  S  S18  1  0.775  0.948  0.163  1.0
  S  S19  1  0.225  0.052  0.837  1.0
  S  S20  1  0.919  0.250  0.413  1.0
  S  S21  1  0.081  0.750  0.587  1.0
  S  S22  1  0.581  0.750  0.913  1.0
  S  S23  1  0.419  0.250  0.087  1.0
  S  S24  1  0.128  0.750  0.093  1.0
  S  S25  1  0.872  0.250  0.907  1.0
  S  S26  1  0.372  0.250  0.593  1.0
  S  S27  1  0.628  0.750  0.407  1.0
[/CIF]
.
The material structure described by MgYb2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 4-coordinate geometry to one S(3), two equivalent S(1), and three equivalent S(2) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), and four equivalent S(1) atoms. In the second Yb site, Yb(2) is bonded to one S(2), two equivalent S(1), and three equivalent S(3) atoms to form a mixture of distorted edge and corner-sharing YbS6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(2), two equivalent Yb(1), and one S(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Mg(1), one Yb(2), and two equivalent Yb(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(1), and three equivalent Yb(2) atoms. is represented by the CIF card [CIF]
data_Yb2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.275
_cell_length_b   5.243
_cell_length_c   13.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.904
_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
  Yb  Yb0  1  0.991  0.750  0.296  1.0
  Yb  Yb1  1  0.009  0.250  0.704  1.0
  Yb  Yb2  1  0.509  0.250  0.796  1.0
  Yb  Yb3  1  0.491  0.750  0.204  1.0
  Yb  Yb4  1  0.128  0.250  0.031  1.0
  Yb  Yb5  1  0.872  0.750  0.969  1.0
  Yb  Yb6  1  0.372  0.750  0.531  1.0
  Yb  Yb7  1  0.628  0.250  0.469  1.0
  Mg  Mg8  1  0.162  0.250  0.474  1.0
  Mg  Mg9  1  0.838  0.750  0.526  1.0
  Mg  Mg10  1  0.338  0.750  0.974  1.0
  Mg  Mg11  1  0.662  0.250  0.026  1.0
  S  S12  1  0.225  0.448  0.837  1.0
  S  S13  1  0.775  0.552  0.163  1.0
  S  S14  1  0.275  0.552  0.337  1.0
  S  S15  1  0.725  0.448  0.663  1.0
  S  S16  1  0.725  0.052  0.663  1.0
  S  S17  1  0.275  0.948  0.337  1.0
  S  S18  1  0.775  0.948  0.163  1.0
  S  S19  1  0.225  0.052  0.837  1.0
  S  S20  1  0.919  0.250  0.413  1.0
  S  S21  1  0.081  0.750  0.587  1.0
  S  S22  1  0.581  0.750  0.913  1.0
  S  S23  1  0.419  0.250  0.087  1.0
  S  S24  1  0.128  0.750  0.093  1.0
  S  S25  1  0.872  0.250  0.907  1.0
  S  S26  1  0.372  0.250  0.593  1.0
  S  S27  1  0.628  0.750  0.407  1.0
[/CIF]
.