The structure described by Yb6Fe2S11 crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(4) atoms. In the second Yb site, Yb(2) is bonded to two equivalent S(1), two equivalent S(5), and three equivalent S(6) atoms to form distorted YbS7 pentagonal bipyramids that share corners with two equivalent Yb(3)S6 octahedra, corners with two equivalent Yb(4)S6 octahedra, corners with four equivalent Fe(1)S6 octahedra,  an edgeedge with one Fe(1)S6 octahedra, edges with three equivalent Yb(3)S6 octahedra, edges with two equivalent Yb(2)S7 pentagonal bipyramids, and faces with two equivalent Yb(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 19-84°. In the third Yb site, Yb(3) is bonded to two equivalent S(5) and four equivalent S(6) atoms to form YbS6 octahedra that share corners with two equivalent Fe(1)S6 octahedra, corners with four equivalent Yb(2)S7 pentagonal bipyramids, edges with two equivalent Yb(3)S6 octahedra, and edges with six equivalent Yb(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fourth Yb site, Yb(4) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form YbS6 octahedra that share  a cornercorner with one Yb(4)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Yb(2)S7 pentagonal bipyramids, edges with two equivalent Yb(4)S6 octahedra, and edges with three equivalent Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 12-46°. Fe(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(2) atoms to form FeS6 octahedra that share  a cornercorner with one Yb(3)S6 octahedra, corners with two equivalent Yb(4)S6 octahedra, corners with four equivalent Yb(2)S7 pentagonal bipyramids, edges with two equivalent Fe(1)S6 octahedra, edges with three equivalent Yb(4)S6 octahedra, and  an edgeedge with one Yb(2)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 12-52°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Yb(4), two equivalent Yb(2), and two equivalent Fe(1) atoms to form distorted SYb3Fe2 square pyramids that share  a cornercorner with one S(3)Yb4 tetrahedra, corners with four equivalent S(6)Yb5 trigonal bipyramids, edges with two equivalent S(1)Yb3Fe2 square pyramids,  an edgeedge with one S(6)Yb5 trigonal bipyramid, and edges with two equivalent S(4)Yb4Fe trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Yb(1), two equivalent Yb(4), and two equivalent Fe(1) atoms. In the third S site, S(3) is bonded to two equivalent Yb(1) and two equivalent Yb(4) atoms to form distorted SYb4 tetrahedra that share corners with two equivalent S(1)Yb3Fe2 square pyramids, corners with two equivalent S(3)Yb4 tetrahedra, corners with eight equivalent S(4)Yb4Fe trigonal bipyramids, and edges with two equivalent S(4)Yb4Fe trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Yb(1), two equivalent Yb(4), and one Fe(1) atom to form distorted SYb4Fe trigonal bipyramids that share corners with four equivalent S(3)Yb4 tetrahedra, corners with two equivalent S(4)Yb4Fe trigonal bipyramids, edges with two equivalent S(1)Yb3Fe2 square pyramids,  an edgeedge with one S(3)Yb4 tetrahedra, and edges with three equivalent S(4)Yb4Fe trigonal bipyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Yb(3), two equivalent Yb(2), and one Fe(1) atom. In the sixth S site, S(6) is bonded to two equivalent Yb(3) and three equivalent Yb(2) atoms to form distorted SYb5 trigonal bipyramids that share corners with four equivalent S(1)Yb3Fe2 square pyramids, corners with two equivalent S(6)Yb5 trigonal bipyramids,  an edgeedge with one S(1)Yb3Fe2 square pyramid, and edges with five equivalent S(6)Yb5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb6Fe2S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.526
_cell_length_b   6.526
_cell_length_c   33.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.134
_symmetry_Int_Tables_number   1
_cell_volume   781.824
_cell_formula_units_Z   2
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  0.999  0.001  0.250  1.0
  Yb  Yb1  1  0.001  0.999  0.750  1.0
  Yb  Yb2  1  0.757  0.243  0.062  1.0
  Yb  Yb3  1  0.243  0.757  0.938  1.0
  Yb  Yb4  1  0.757  0.243  0.438  1.0
  Yb  Yb5  1  0.243  0.757  0.562  1.0
  Yb  Yb6  1  0.500  0.500  0.000  1.0
  Yb  Yb7  1  0.500  0.500  0.500  1.0
  Yb  Yb8  1  0.255  0.745  0.178  1.0
  Yb  Yb9  1  0.745  0.255  0.822  1.0
  Yb  Yb10  1  0.255  0.745  0.322  1.0
  Yb  Yb11  1  0.745  0.255  0.678  1.0
  Fe  Fe12  1  0.516  0.484  0.135  1.0
  Fe  Fe13  1  0.484  0.516  0.865  1.0
  Fe  Fe14  1  0.516  0.484  0.365  1.0
  Fe  Fe15  1  0.484  0.516  0.635  1.0
  S  S16  1  0.120  0.880  0.386  1.0
  S  S17  1  0.880  0.120  0.614  1.0
  S  S18  1  0.120  0.880  0.114  1.0
  S  S19  1  0.880  0.120  0.886  1.0
  S  S20  1  0.915  0.085  0.344  1.0
  S  S21  1  0.085  0.915  0.656  1.0
  S  S22  1  0.915  0.085  0.156  1.0
  S  S23  1  0.085  0.915  0.844  1.0
  S  S24  1  0.338  0.662  0.250  1.0
  S  S25  1  0.662  0.338  0.750  1.0
  S  S26  1  0.601  0.399  0.303  1.0
  S  S27  1  0.399  0.601  0.697  1.0
  S  S28  1  0.601  0.399  0.197  1.0
  S  S29  1  0.399  0.601  0.803  1.0
  S  S30  1  0.422  0.578  0.422  1.0
  S  S31  1  0.578  0.422  0.578  1.0
  S  S32  1  0.422  0.578  0.078  1.0
  S  S33  1  0.578  0.422  0.922  1.0
  S  S34  1  0.152  0.848  0.483  1.0
  S  S35  1  0.848  0.152  0.517  1.0
  S  S36  1  0.152  0.848  0.017  1.0
  S  S37  1  0.848  0.152  0.983  1.0
[/CIF]
.
The structure described by Yb6Fe2S11 crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(4) atoms. In the second Yb site, Yb(2) is bonded to two equivalent S(1), two equivalent S(5), and three equivalent S(6) atoms to form distorted YbS7 pentagonal bipyramids that share corners with two equivalent Yb(3)S6 octahedra, corners with two equivalent Yb(4)S6 octahedra, corners with four equivalent Fe(1)S6 octahedra,  an edgeedge with one Fe(1)S6 octahedra, edges with three equivalent Yb(3)S6 octahedra, edges with two equivalent Yb(2)S7 pentagonal bipyramids, and faces with two equivalent Yb(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 19-84°. In the third Yb site, Yb(3) is bonded to two equivalent S(5) and four equivalent S(6) atoms to form YbS6 octahedra that share corners with two equivalent Fe(1)S6 octahedra, corners with four equivalent Yb(2)S7 pentagonal bipyramids, edges with two equivalent Yb(3)S6 octahedra, and edges with six equivalent Yb(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fourth Yb site, Yb(4) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form YbS6 octahedra that share  a cornercorner with one Yb(4)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Yb(2)S7 pentagonal bipyramids, edges with two equivalent Yb(4)S6 octahedra, and edges with three equivalent Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 12-46°. Fe(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(2) atoms to form FeS6 octahedra that share  a cornercorner with one Yb(3)S6 octahedra, corners with two equivalent Yb(4)S6 octahedra, corners with four equivalent Yb(2)S7 pentagonal bipyramids, edges with two equivalent Fe(1)S6 octahedra, edges with three equivalent Yb(4)S6 octahedra, and  an edgeedge with one Yb(2)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 12-52°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Yb(4), two equivalent Yb(2), and two equivalent Fe(1) atoms to form distorted SYb3Fe2 square pyramids that share  a cornercorner with one S(3)Yb4 tetrahedra, corners with four equivalent S(6)Yb5 trigonal bipyramids, edges with two equivalent S(1)Yb3Fe2 square pyramids,  an edgeedge with one S(6)Yb5 trigonal bipyramid, and edges with two equivalent S(4)Yb4Fe trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Yb(1), two equivalent Yb(4), and two equivalent Fe(1) atoms. In the third S site, S(3) is bonded to two equivalent Yb(1) and two equivalent Yb(4) atoms to form distorted SYb4 tetrahedra that share corners with two equivalent S(1)Yb3Fe2 square pyramids, corners with two equivalent S(3)Yb4 tetrahedra, corners with eight equivalent S(4)Yb4Fe trigonal bipyramids, and edges with two equivalent S(4)Yb4Fe trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Yb(1), two equivalent Yb(4), and one Fe(1) atom to form distorted SYb4Fe trigonal bipyramids that share corners with four equivalent S(3)Yb4 tetrahedra, corners with two equivalent S(4)Yb4Fe trigonal bipyramids, edges with two equivalent S(1)Yb3Fe2 square pyramids,  an edgeedge with one S(3)Yb4 tetrahedra, and edges with three equivalent S(4)Yb4Fe trigonal bipyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Yb(3), two equivalent Yb(2), and one Fe(1) atom. In the sixth S site, S(6) is bonded to two equivalent Yb(3) and three equivalent Yb(2) atoms to form distorted SYb5 trigonal bipyramids that share corners with four equivalent S(1)Yb3Fe2 square pyramids, corners with two equivalent S(6)Yb5 trigonal bipyramids,  an edgeedge with one S(1)Yb3Fe2 square pyramid, and edges with five equivalent S(6)Yb5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb6Fe2S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.526
_cell_length_b   6.526
_cell_length_c   33.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.134
_symmetry_Int_Tables_number   1
_cell_volume   781.824
_cell_formula_units_Z   2
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  0.999  0.001  0.250  1.0
  Yb  Yb1  1  0.001  0.999  0.750  1.0
  Yb  Yb2  1  0.757  0.243  0.062  1.0
  Yb  Yb3  1  0.243  0.757  0.938  1.0
  Yb  Yb4  1  0.757  0.243  0.438  1.0
  Yb  Yb5  1  0.243  0.757  0.562  1.0
  Yb  Yb6  1  0.500  0.500  0.000  1.0
  Yb  Yb7  1  0.500  0.500  0.500  1.0
  Yb  Yb8  1  0.255  0.745  0.178  1.0
  Yb  Yb9  1  0.745  0.255  0.822  1.0
  Yb  Yb10  1  0.255  0.745  0.322  1.0
  Yb  Yb11  1  0.745  0.255  0.678  1.0
  Fe  Fe12  1  0.516  0.484  0.135  1.0
  Fe  Fe13  1  0.484  0.516  0.865  1.0
  Fe  Fe14  1  0.516  0.484  0.365  1.0
  Fe  Fe15  1  0.484  0.516  0.635  1.0
  S  S16  1  0.120  0.880  0.386  1.0
  S  S17  1  0.880  0.120  0.614  1.0
  S  S18  1  0.120  0.880  0.114  1.0
  S  S19  1  0.880  0.120  0.886  1.0
  S  S20  1  0.915  0.085  0.344  1.0
  S  S21  1  0.085  0.915  0.656  1.0
  S  S22  1  0.915  0.085  0.156  1.0
  S  S23  1  0.085  0.915  0.844  1.0
  S  S24  1  0.338  0.662  0.250  1.0
  S  S25  1  0.662  0.338  0.750  1.0
  S  S26  1  0.601  0.399  0.303  1.0
  S  S27  1  0.399  0.601  0.697  1.0
  S  S28  1  0.601  0.399  0.197  1.0
  S  S29  1  0.399  0.601  0.803  1.0
  S  S30  1  0.422  0.578  0.422  1.0
  S  S31  1  0.578  0.422  0.578  1.0
  S  S32  1  0.422  0.578  0.078  1.0
  S  S33  1  0.578  0.422  0.922  1.0
  S  S34  1  0.152  0.848  0.483  1.0
  S  S35  1  0.848  0.152  0.517  1.0
  S  S36  1  0.152  0.848  0.017  1.0
  S  S37  1  0.848  0.152  0.983  1.0
[/CIF]
.