The structure described by MgLu2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(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 Lu site, Lu(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted edge-sharing LuS6 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), two equivalent Lu(1), and two equivalent Lu(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Lu(1), and one Lu(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Lu(2), and two equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_Lu2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.845
_cell_length_b   7.286
_cell_length_c   11.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.905
_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
  Lu  Lu0  1  0.038  0.750  0.306  1.0
  Lu  Lu1  1  0.962  0.250  0.694  1.0
  Lu  Lu2  1  0.462  0.250  0.806  1.0
  Lu  Lu3  1  0.538  0.750  0.194  1.0
  Lu  Lu4  1  0.067  0.250  0.016  1.0
  Lu  Lu5  1  0.933  0.750  0.984  1.0
  Lu  Lu6  1  0.433  0.750  0.516  1.0
  Lu  Lu7  1  0.567  0.250  0.484  1.0
  Mg  Mg8  1  0.177  0.250  0.403  1.0
  Mg  Mg9  1  0.823  0.750  0.597  1.0
  Mg  Mg10  1  0.323  0.750  0.903  1.0
  Mg  Mg11  1  0.677  0.250  0.097  1.0
  S  S12  1  0.118  0.505  0.842  1.0
  S  S13  1  0.882  0.495  0.158  1.0
  S  S14  1  0.382  0.495  0.342  1.0
  S  S15  1  0.618  0.505  0.658  1.0
  S  S16  1  0.618  0.995  0.658  1.0
  S  S17  1  0.382  0.005  0.342  1.0
  S  S18  1  0.882  0.005  0.158  1.0
  S  S19  1  0.118  0.995  0.842  1.0
  S  S20  1  0.890  0.250  0.461  1.0
  S  S21  1  0.110  0.750  0.539  1.0
  S  S22  1  0.610  0.750  0.961  1.0
  S  S23  1  0.390  0.250  0.039  1.0
  S  S24  1  0.226  0.750  0.111  1.0
  S  S25  1  0.774  0.250  0.889  1.0
  S  S26  1  0.274  0.250  0.611  1.0
  S  S27  1  0.726  0.750  0.389  1.0
[/CIF]
.
The structure described by MgLu2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(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 Lu site, Lu(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted edge-sharing LuS6 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), two equivalent Lu(1), and two equivalent Lu(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Lu(1), and one Lu(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Lu(2), and two equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_Lu2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.845
_cell_length_b   7.286
_cell_length_c   11.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   639.905
_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
  Lu  Lu0  1  0.038  0.750  0.306  1.0
  Lu  Lu1  1  0.962  0.250  0.694  1.0
  Lu  Lu2  1  0.462  0.250  0.806  1.0
  Lu  Lu3  1  0.538  0.750  0.194  1.0
  Lu  Lu4  1  0.067  0.250  0.016  1.0
  Lu  Lu5  1  0.933  0.750  0.984  1.0
  Lu  Lu6  1  0.433  0.750  0.516  1.0
  Lu  Lu7  1  0.567  0.250  0.484  1.0
  Mg  Mg8  1  0.177  0.250  0.403  1.0
  Mg  Mg9  1  0.823  0.750  0.597  1.0
  Mg  Mg10  1  0.323  0.750  0.903  1.0
  Mg  Mg11  1  0.677  0.250  0.097  1.0
  S  S12  1  0.118  0.505  0.842  1.0
  S  S13  1  0.882  0.495  0.158  1.0
  S  S14  1  0.382  0.495  0.342  1.0
  S  S15  1  0.618  0.505  0.658  1.0
  S  S16  1  0.618  0.995  0.658  1.0
  S  S17  1  0.382  0.005  0.342  1.0
  S  S18  1  0.882  0.005  0.158  1.0
  S  S19  1  0.118  0.995  0.842  1.0
  S  S20  1  0.890  0.250  0.461  1.0
  S  S21  1  0.110  0.750  0.539  1.0
  S  S22  1  0.610  0.750  0.961  1.0
  S  S23  1  0.390  0.250  0.039  1.0
  S  S24  1  0.226  0.750  0.111  1.0
  S  S25  1  0.774  0.250  0.889  1.0
  S  S26  1  0.274  0.250  0.611  1.0
  S  S27  1  0.726  0.750  0.389  1.0
[/CIF]
.