The structure described by Y4FeS7 crystallizes in the monoclinic Cm space group. 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 Y(4)S6 octahedra,  a cornercorner with one Fe(1)S6 octahedra, and edges with two equivalent Y(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. 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 Fe(1)S6 octahedra, edges with two equivalent Y(4)S6 octahedra, and edges with three equivalent Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-50°. Fe(1) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(7) atoms to form FeS6 octahedra that share  a cornercorner with one Y(3)S6 octahedra, corners with two equivalent Y(4)S6 octahedra, edges with two equivalent Fe(1)S6 octahedra, and edges with three equivalent Y(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-52°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Y(2), two equivalent Y(4), and one Fe(1) atom to form SY4Fe trigonal bipyramids that share  a cornercorner with one S(5)Y3Fe 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, edges with two equivalent S(2)Y3Fe2 square pyramids,  an edgeedge with one S(6)Y4 tetrahedra,  an edgeedge with one S(4)Y5 trigonal bipyramid, and edges with two equivalent S(1)Y4Fe trigonal bipyramids. In the second S site, S(2) is bonded to one Y(4), two equivalent Y(1), and two equivalent Fe(1) atoms to form SY3Fe2 square pyramids that share  a cornercorner with one S(6)Y4 tetrahedra, corners with four equivalent S(5)Y3Fe tetrahedra, corners with two equivalent S(3)Y5 trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids, edges with two equivalent S(2)Y3Fe2 square pyramids,  an edgeedge with one S(5)Y3Fe tetrahedra,  an edgeedge with one S(3)Y5 trigonal bipyramid, and edges with two equivalent S(1)Y4Fe 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 two equivalent S(2)Y3Fe2 square pyramids, corners with four equivalent S(5)Y3Fe tetrahedra, corners with two equivalent S(1)Y4Fe trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(2)Y3Fe2 square pyramid,  an edgeedge with one S(5)Y3Fe tetrahedra, edges with two equivalent S(6)Y4 tetrahedra, 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 two equivalent S(2)Y3Fe2 square pyramids, corners with four equivalent S(6)Y4 tetrahedra, corners with two equivalent S(1)Y4Fe 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)Y3Fe tetrahedra,  an edgeedge with one S(1)Y4Fe 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 Y(3), two equivalent Y(1), and one Fe(1) atom to form distorted SY3Fe tetrahedra that share corners with four equivalent S(2)Y3Fe2 square pyramids,  a cornercorner with one S(6)Y4 tetrahedra, corners with two equivalent S(5)Y3Fe tetrahedra,  a cornercorner with one S(1)Y4Fe trigonal bipyramid, corners with four equivalent S(3)Y5 trigonal bipyramids,  an edgeedge with one S(2)Y3Fe2 square pyramid,  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(2)Y3Fe2 square pyramid,  a cornercorner with one S(5)Y3Fe tetrahedra, corners with two equivalent S(6)Y4 tetrahedra, corners with four equivalent S(1)Y4Fe trigonal bipyramids, corners with four equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(1)Y4Fe 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 Y(4) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Y4FeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.489
_cell_length_b   6.489
_cell_length_c   11.383
_cell_angle_alpha   76.158
_cell_angle_beta   76.158
_cell_angle_gamma   33.961
_symmetry_Int_Tables_number   1
_cell_volume   259.215
_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  0.693  0.693  0.208  1.0
  Y  Y1  1  0.307  0.307  0.800  1.0
  Y  Y2  1  0.999  0.999  0.007  1.0
  Y  Y3  1  0.112  0.112  0.563  1.0
  Fe  Fe4  1  0.889  0.889  0.425  1.0
  S  S5  1  0.746  0.746  0.636  1.0
  S  S6  1  0.272  0.272  0.354  1.0
  S  S7  1  0.338  0.338  0.052  1.0
  S  S8  1  0.660  0.660  0.948  1.0
  S  S9  1  0.031  0.031  0.230  1.0
  S  S10  1  0.965  0.965  0.783  1.0
  S  S11  1  0.489  0.489  0.493  1.0
[/CIF]
.
The structure described by Y4FeS7 crystallizes in the monoclinic Cm space group. 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 Y(4)S6 octahedra,  a cornercorner with one Fe(1)S6 octahedra, and edges with two equivalent Y(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. 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 Fe(1)S6 octahedra, edges with two equivalent Y(4)S6 octahedra, and edges with three equivalent Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-50°. Fe(1) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(7) atoms to form FeS6 octahedra that share  a cornercorner with one Y(3)S6 octahedra, corners with two equivalent Y(4)S6 octahedra, edges with two equivalent Fe(1)S6 octahedra, and edges with three equivalent Y(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-52°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Y(2), two equivalent Y(4), and one Fe(1) atom to form SY4Fe trigonal bipyramids that share  a cornercorner with one S(5)Y3Fe 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, edges with two equivalent S(2)Y3Fe2 square pyramids,  an edgeedge with one S(6)Y4 tetrahedra,  an edgeedge with one S(4)Y5 trigonal bipyramid, and edges with two equivalent S(1)Y4Fe trigonal bipyramids. In the second S site, S(2) is bonded to one Y(4), two equivalent Y(1), and two equivalent Fe(1) atoms to form SY3Fe2 square pyramids that share  a cornercorner with one S(6)Y4 tetrahedra, corners with four equivalent S(5)Y3Fe tetrahedra, corners with two equivalent S(3)Y5 trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids, edges with two equivalent S(2)Y3Fe2 square pyramids,  an edgeedge with one S(5)Y3Fe tetrahedra,  an edgeedge with one S(3)Y5 trigonal bipyramid, and edges with two equivalent S(1)Y4Fe 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 two equivalent S(2)Y3Fe2 square pyramids, corners with four equivalent S(5)Y3Fe tetrahedra, corners with two equivalent S(1)Y4Fe trigonal bipyramids, corners with two equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(2)Y3Fe2 square pyramid,  an edgeedge with one S(5)Y3Fe tetrahedra, edges with two equivalent S(6)Y4 tetrahedra, 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 two equivalent S(2)Y3Fe2 square pyramids, corners with four equivalent S(6)Y4 tetrahedra, corners with two equivalent S(1)Y4Fe 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)Y3Fe tetrahedra,  an edgeedge with one S(1)Y4Fe 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 Y(3), two equivalent Y(1), and one Fe(1) atom to form distorted SY3Fe tetrahedra that share corners with four equivalent S(2)Y3Fe2 square pyramids,  a cornercorner with one S(6)Y4 tetrahedra, corners with two equivalent S(5)Y3Fe tetrahedra,  a cornercorner with one S(1)Y4Fe trigonal bipyramid, corners with four equivalent S(3)Y5 trigonal bipyramids,  an edgeedge with one S(2)Y3Fe2 square pyramid,  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(2)Y3Fe2 square pyramid,  a cornercorner with one S(5)Y3Fe tetrahedra, corners with two equivalent S(6)Y4 tetrahedra, corners with four equivalent S(1)Y4Fe trigonal bipyramids, corners with four equivalent S(4)Y5 trigonal bipyramids,  an edgeedge with one S(1)Y4Fe 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 Y(4) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Y4FeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.489
_cell_length_b   6.489
_cell_length_c   11.383
_cell_angle_alpha   76.158
_cell_angle_beta   76.158
_cell_angle_gamma   33.961
_symmetry_Int_Tables_number   1
_cell_volume   259.215
_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  0.693  0.693  0.208  1.0
  Y  Y1  1  0.307  0.307  0.800  1.0
  Y  Y2  1  0.999  0.999  0.007  1.0
  Y  Y3  1  0.112  0.112  0.563  1.0
  Fe  Fe4  1  0.889  0.889  0.425  1.0
  S  S5  1  0.746  0.746  0.636  1.0
  S  S6  1  0.272  0.272  0.354  1.0
  S  S7  1  0.338  0.338  0.052  1.0
  S  S8  1  0.660  0.660  0.948  1.0
  S  S9  1  0.031  0.031  0.230  1.0
  S  S10  1  0.965  0.965  0.783  1.0
  S  S11  1  0.489  0.489  0.493  1.0
[/CIF]
.