The material structure described by MgY2S4 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 Y sites. In the first Y site, Y(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 Y site, Y(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 Y(1), and two equivalent Y(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Y(1), and one Y(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(2), and two equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_Y2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.963
_cell_length_b   7.299
_cell_length_c   11.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   666.512
_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
  Y  Y0  1  0.041  0.750  0.309  1.0
  Y  Y1  1  0.959  0.250  0.691  1.0
  Y  Y2  1  0.459  0.250  0.809  1.0
  Y  Y3  1  0.541  0.750  0.191  1.0
  Y  Y4  1  0.072  0.250  0.020  1.0
  Y  Y5  1  0.928  0.750  0.980  1.0
  Y  Y6  1  0.428  0.750  0.520  1.0
  Y  Y7  1  0.572  0.250  0.480  1.0
  Mg  Mg8  1  0.181  0.250  0.408  1.0
  Mg  Mg9  1  0.819  0.750  0.592  1.0
  Mg  Mg10  1  0.319  0.750  0.908  1.0
  Mg  Mg11  1  0.681  0.250  0.092  1.0
  S  S12  1  0.130  0.502  0.843  1.0
  S  S13  1  0.870  0.498  0.157  1.0
  S  S14  1  0.370  0.498  0.343  1.0
  S  S15  1  0.630  0.502  0.657  1.0
  S  S16  1  0.630  0.998  0.657  1.0
  S  S17  1  0.370  0.002  0.343  1.0
  S  S18  1  0.870  0.002  0.157  1.0
  S  S19  1  0.130  0.998  0.843  1.0
  S  S20  1  0.896  0.250  0.456  1.0
  S  S21  1  0.104  0.750  0.544  1.0
  S  S22  1  0.604  0.750  0.956  1.0
  S  S23  1  0.396  0.250  0.044  1.0
  S  S24  1  0.221  0.750  0.110  1.0
  S  S25  1  0.779  0.250  0.890  1.0
  S  S26  1  0.279  0.250  0.610  1.0
  S  S27  1  0.721  0.750  0.390  1.0
[/CIF]
.
The material structure described by MgY2S4 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 Y sites. In the first Y site, Y(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 Y site, Y(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 Y(1), and two equivalent Y(2) atoms. In the second S site, S(2) is bonded in a T-shaped geometry to one Mg(1), one Y(1), and one Y(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(2), and two equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_Y2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.963
_cell_length_b   7.299
_cell_length_c   11.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   666.512
_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
  Y  Y0  1  0.041  0.750  0.309  1.0
  Y  Y1  1  0.959  0.250  0.691  1.0
  Y  Y2  1  0.459  0.250  0.809  1.0
  Y  Y3  1  0.541  0.750  0.191  1.0
  Y  Y4  1  0.072  0.250  0.020  1.0
  Y  Y5  1  0.928  0.750  0.980  1.0
  Y  Y6  1  0.428  0.750  0.520  1.0
  Y  Y7  1  0.572  0.250  0.480  1.0
  Mg  Mg8  1  0.181  0.250  0.408  1.0
  Mg  Mg9  1  0.819  0.750  0.592  1.0
  Mg  Mg10  1  0.319  0.750  0.908  1.0
  Mg  Mg11  1  0.681  0.250  0.092  1.0
  S  S12  1  0.130  0.502  0.843  1.0
  S  S13  1  0.870  0.498  0.157  1.0
  S  S14  1  0.370  0.498  0.343  1.0
  S  S15  1  0.630  0.502  0.657  1.0
  S  S16  1  0.630  0.998  0.657  1.0
  S  S17  1  0.370  0.002  0.343  1.0
  S  S18  1  0.870  0.002  0.157  1.0
  S  S19  1  0.130  0.998  0.843  1.0
  S  S20  1  0.896  0.250  0.456  1.0
  S  S21  1  0.104  0.750  0.544  1.0
  S  S22  1  0.604  0.750  0.956  1.0
  S  S23  1  0.396  0.250  0.044  1.0
  S  S24  1  0.221  0.750  0.110  1.0
  S  S25  1  0.779  0.250  0.890  1.0
  S  S26  1  0.279  0.250  0.610  1.0
  S  S27  1  0.721  0.750  0.390  1.0
[/CIF]
.