The material described by MgY4S7 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(7) atoms to form MgS6 octahedra that share  a cornercorner with one Y(3)S6 octahedra, corners with two equivalent Y(4)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, and edges with three equivalent Y(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 3-55°. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(6) atoms. In the third Y site, Y(3) is bonded to one S(5), one S(6), two equivalent S(3), and two equivalent S(4) atoms to form YS6 octahedra that share  a cornercorner with one Mg(1)S6 octahedra,  a cornercorner with one Y(4)S6 octahedra, and edges with two equivalent Y(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the fourth Y site, Y(4) is bonded to one S(2), one S(6), two equivalent S(1), and two equivalent S(7) atoms to form YS6 octahedra that share  a cornercorner with one Y(3)S6 octahedra, corners with two equivalent Mg(1)S6 octahedra, edges with two equivalent Y(4)S6 octahedra, and edges with three equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 3-52°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Y(2), and two equivalent Y(4) atoms to form SY4Mg trigonal bipyramids that share  a cornercorner with one S(5)Y3Mg tetrahedra, corners with four equivalent S(6)Y4 tetrahedra, corners with two equivalent S(3)Y5 trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(6)Y4 tetrahedra,  an edgeedge with one S(4)Y5 trigonal bipyramid, edges with two equivalent S(2)Y3Mg2 trigonal bipyramids, and edges with two equivalent S(1)Y4Mg trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Mg(1), one Y(4), and two equivalent Y(1) atoms to form SY3Mg2 trigonal bipyramids that share  a cornercorner with one S(6)Y4 tetrahedra, corners with four equivalent S(5)Y3Mg tetrahedra, corners with two equivalent S(3)Y5 trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(5)Y3Mg tetrahedra,  an edgeedge with one S(3)Y5 trigonal bipyramid, edges with two equivalent S(2)Y3Mg2 trigonal bipyramids, and edges with two equivalent S(1)Y4Mg trigonal bipyramids. In the third S site, S(3) is bonded to one Y(2), two equivalent Y(1), and two equivalent Y(3) atoms to form distorted SY5 trigonal bipyramids that share corners with four equivalent S(5)Y3Mg tetrahedra, corners with two equivalent S(2)Y3Mg2 trigonal bipyramids, corners with two equivalent S(1)Y4Mg trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(5)Y3Mg tetrahedra, edges with two equivalent S(6)Y4 tetrahedra,  an edgeedge with one S(2)Y3Mg2 trigonal bipyramid, edges with two equivalent S(3)Y5 trigonal bipyramids, and edges with three equivalent S(4)Y5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form distorted SY5 trigonal bipyramids that share corners with four equivalent S(6)Y4 tetrahedra, corners with two equivalent S(2)Y3Mg2 trigonal bipyramids, corners with two equivalent S(1)Y4Mg trigonal bipyramids, corners with two equivalent S(3)Y5 trigonal bipyramids,  an edgeedge with one S(6)Y4 tetrahedra, edges with two equivalent S(5)Y3Mg tetrahedra,  an edgeedge with one S(1)Y4Mg trigonal bipyramid, edges with two equivalent S(4)Y5 trigonal bipyramids, and edges with three equivalent S(3)Y5 trigonal bipyramids. In the fifth S site, S(5) is bonded to one Mg(1), one Y(3), and two equivalent Y(1) atoms to form distorted SY3Mg tetrahedra that share  a cornercorner with one S(6)Y4 tetrahedra, corners with two equivalent S(5)Y3Mg tetrahedra,  a cornercorner with one S(1)Y4Mg trigonal bipyramid, corners with four equivalent S(2)Y3Mg2 trigonal bipyramids, corners with four equivalent S(3)Y5 trigonal bipyramids,  an edgeedge with one S(2)Y3Mg2 trigonal bipyramid,  an edgeedge with one S(3)Y5 trigonal bipyramid, and edges with two equivalent S(4)Y5 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Y(3), one Y(4), and two equivalent Y(2) atoms to form SY4 tetrahedra that share  a cornercorner with one S(5)Y3Mg tetrahedra, corners with two equivalent S(6)Y4 tetrahedra,  a cornercorner with one S(2)Y3Mg2 trigonal bipyramid, corners with four equivalent S(1)Y4Mg trigonal bipyramids, corners with four equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(1)Y4Mg trigonal bipyramid,  an edgeedge with one S(4)Y5 trigonal bipyramid, and edges with two equivalent S(3)Y5 trigonal bipyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Y(4) atoms. is represented by the CIF file [CIF]
data_Y4MgS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.590
_cell_length_b   6.590
_cell_length_c   11.499
_cell_angle_alpha   75.756
_cell_angle_beta   75.756
_cell_angle_gamma   33.613
_symmetry_Int_Tables_number   1
_cell_volume   267.165
_cell_formula_units_Z   1
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  0.692  0.692  0.204  1.0
  Y  Y1  1  0.307  0.307  0.802  1.0
  Y  Y2  1  1.000  1.000  0.005  1.0
  Y  Y3  1  0.114  0.114  0.568  1.0
  Mg  Mg4  1  0.886  0.886  0.422  1.0
  S  S5  1  0.744  0.744  0.640  1.0
  S  S6  1  0.267  0.267  0.353  1.0
  S  S7  1  0.339  0.339  0.051  1.0
  S  S8  1  0.660  0.660  0.948  1.0
  S  S9  1  0.035  0.035  0.224  1.0
  S  S10  1  0.962  0.962  0.785  1.0
  S  S11  1  0.495  0.495  0.498  1.0
[/CIF]
.
The material described by MgY4S7 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(7) atoms to form MgS6 octahedra that share  a cornercorner with one Y(3)S6 octahedra, corners with two equivalent Y(4)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, and edges with three equivalent Y(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 3-55°. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(6) atoms. In the third Y site, Y(3) is bonded to one S(5), one S(6), two equivalent S(3), and two equivalent S(4) atoms to form YS6 octahedra that share  a cornercorner with one Mg(1)S6 octahedra,  a cornercorner with one Y(4)S6 octahedra, and edges with two equivalent Y(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the fourth Y site, Y(4) is bonded to one S(2), one S(6), two equivalent S(1), and two equivalent S(7) atoms to form YS6 octahedra that share  a cornercorner with one Y(3)S6 octahedra, corners with two equivalent Mg(1)S6 octahedra, edges with two equivalent Y(4)S6 octahedra, and edges with three equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 3-52°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Y(2), and two equivalent Y(4) atoms to form SY4Mg trigonal bipyramids that share  a cornercorner with one S(5)Y3Mg tetrahedra, corners with four equivalent S(6)Y4 tetrahedra, corners with two equivalent S(3)Y5 trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(6)Y4 tetrahedra,  an edgeedge with one S(4)Y5 trigonal bipyramid, edges with two equivalent S(2)Y3Mg2 trigonal bipyramids, and edges with two equivalent S(1)Y4Mg trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Mg(1), one Y(4), and two equivalent Y(1) atoms to form SY3Mg2 trigonal bipyramids that share  a cornercorner with one S(6)Y4 tetrahedra, corners with four equivalent S(5)Y3Mg tetrahedra, corners with two equivalent S(3)Y5 trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(5)Y3Mg tetrahedra,  an edgeedge with one S(3)Y5 trigonal bipyramid, edges with two equivalent S(2)Y3Mg2 trigonal bipyramids, and edges with two equivalent S(1)Y4Mg trigonal bipyramids. In the third S site, S(3) is bonded to one Y(2), two equivalent Y(1), and two equivalent Y(3) atoms to form distorted SY5 trigonal bipyramids that share corners with four equivalent S(5)Y3Mg tetrahedra, corners with two equivalent S(2)Y3Mg2 trigonal bipyramids, corners with two equivalent S(1)Y4Mg trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(5)Y3Mg tetrahedra, edges with two equivalent S(6)Y4 tetrahedra,  an edgeedge with one S(2)Y3Mg2 trigonal bipyramid, edges with two equivalent S(3)Y5 trigonal bipyramids, and edges with three equivalent S(4)Y5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form distorted SY5 trigonal bipyramids that share corners with four equivalent S(6)Y4 tetrahedra, corners with two equivalent S(2)Y3Mg2 trigonal bipyramids, corners with two equivalent S(1)Y4Mg trigonal bipyramids, corners with two equivalent S(3)Y5 trigonal bipyramids,  an edgeedge with one S(6)Y4 tetrahedra, edges with two equivalent S(5)Y3Mg tetrahedra,  an edgeedge with one S(1)Y4Mg trigonal bipyramid, edges with two equivalent S(4)Y5 trigonal bipyramids, and edges with three equivalent S(3)Y5 trigonal bipyramids. In the fifth S site, S(5) is bonded to one Mg(1), one Y(3), and two equivalent Y(1) atoms to form distorted SY3Mg tetrahedra that share  a cornercorner with one S(6)Y4 tetrahedra, corners with two equivalent S(5)Y3Mg tetrahedra,  a cornercorner with one S(1)Y4Mg trigonal bipyramid, corners with four equivalent S(2)Y3Mg2 trigonal bipyramids, corners with four equivalent S(3)Y5 trigonal bipyramids,  an edgeedge with one S(2)Y3Mg2 trigonal bipyramid,  an edgeedge with one S(3)Y5 trigonal bipyramid, and edges with two equivalent S(4)Y5 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Y(3), one Y(4), and two equivalent Y(2) atoms to form SY4 tetrahedra that share  a cornercorner with one S(5)Y3Mg tetrahedra, corners with two equivalent S(6)Y4 tetrahedra,  a cornercorner with one S(2)Y3Mg2 trigonal bipyramid, corners with four equivalent S(1)Y4Mg trigonal bipyramids, corners with four equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(1)Y4Mg trigonal bipyramid,  an edgeedge with one S(4)Y5 trigonal bipyramid, and edges with two equivalent S(3)Y5 trigonal bipyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Y(4) atoms. is represented by the CIF file [CIF]
data_Y4MgS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.590
_cell_length_b   6.590
_cell_length_c   11.499
_cell_angle_alpha   75.756
_cell_angle_beta   75.756
_cell_angle_gamma   33.613
_symmetry_Int_Tables_number   1
_cell_volume   267.165
_cell_formula_units_Z   1
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  0.692  0.692  0.204  1.0
  Y  Y1  1  0.307  0.307  0.802  1.0
  Y  Y2  1  1.000  1.000  0.005  1.0
  Y  Y3  1  0.114  0.114  0.568  1.0
  Mg  Mg4  1  0.886  0.886  0.422  1.0
  S  S5  1  0.744  0.744  0.640  1.0
  S  S6  1  0.267  0.267  0.353  1.0
  S  S7  1  0.339  0.339  0.051  1.0
  S  S8  1  0.660  0.660  0.948  1.0
  S  S9  1  0.035  0.035  0.224  1.0
  S  S10  1  0.962  0.962  0.785  1.0
  S  S11  1  0.495  0.495  0.498  1.0
[/CIF]
.