The compound described by Yb7(MnS6)2 crystallizes in the monoclinic P2_1 space group. There are seven inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one S(1), one S(10), one S(2), one S(4), one S(5), one S(7), and one S(8) atom to form distorted YbS7 pentagonal bipyramids that share  a cornercorner with one Yb(5)S6 octahedra, corners with two equivalent Yb(4)S6 octahedra, corners with two equivalent Yb(6)S6 octahedra, corners with two equivalent Mn(2)S6 octahedra, corners with two equivalent Mn(1)S5 trigonal bipyramids,  an edgeedge with one Yb(4)S6 octahedra,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra, edges with two equivalent Yb(7)S6 octahedra, and  a faceface with one Yb(3)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 7-77°. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(2), one S(3), one S(5), one S(6), one S(8), and one S(9) atom. In the third Yb site, Yb(3) is bonded to one S(1), one S(12), one S(3), one S(4), one S(6), one S(7), and one S(9) atom to form distorted YbS7 pentagonal bipyramids that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(6)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one S(9)Yb4MnS octahedra, corners with two equivalent Yb(5)S6 octahedra, corners with two equivalent Yb(7)S6 octahedra,  a cornercorner with one Mn(1)S5 trigonal bipyramid,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Yb(7)S6 octahedra, edges with two equivalent Yb(6)S6 octahedra, edges with two equivalent Mn(1)S5 trigonal bipyramids, and  a faceface with one Yb(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 10-111°. In the fourth Yb site, Yb(4) is bonded to one S(10), one S(11), one S(2), one S(3), one S(5), and one S(8) atom to form distorted YbS6 octahedra that share  a cornercorner with one Yb(6)S6 octahedra,  a cornercorner with one Yb(7)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one S(9)Yb4MnS octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid, corners with two equivalent Yb(1)S7 pentagonal bipyramids,  a cornercorner with one Mn(1)S5 trigonal bipyramid,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Yb(7)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and  an edgeedge with one Yb(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 17-80°. In the fifth Yb site, Yb(5) is bonded to one S(1), one S(11), one S(12), one S(2), one S(4), and one S(9) atom to form distorted YbS6 octahedra that share  a cornercorner with one Mn(2)S6 octahedra, corners with two equivalent Yb(7)S6 octahedra,  a cornercorner with one Yb(1)S7 pentagonal bipyramid, corners with two equivalent Yb(3)S7 pentagonal bipyramids,  an edgeedge with one Yb(4)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra, edges with two equivalent Yb(6)S6 octahedra,  an edgeedge with one Yb(1)S7 pentagonal bipyramid,  an edgeedge with one Yb(3)S7 pentagonal bipyramid, and  an edgeedge with one Mn(1)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-60°. In the sixth Yb site, Yb(6) is bonded to one S(1), one S(11), one S(12), one S(6), one S(7), and one S(9) atom to form YbS6 octahedra that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid, corners with two equivalent Yb(1)S7 pentagonal bipyramids, corners with two equivalent Mn(1)S5 trigonal bipyramids,  an edgeedge with one Yb(7)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra, edges with two equivalent Yb(5)S6 octahedra, edges with two equivalent Yb(3)S7 pentagonal bipyramids, and  an edgeedge with one Mn(1)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 18°. In the seventh Yb site, Yb(7) is bonded to one S(10), one S(12), one S(3), one S(4), one S(7), and one S(8) atom to form distorted YbS6 octahedra that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one S(9)Yb4MnS octahedra, corners with two equivalent Yb(5)S6 octahedra, corners with two equivalent Yb(3)S7 pentagonal bipyramids,  a cornercorner with one Mn(1)S5 trigonal bipyramid,  an edgeedge with one Yb(4)S6 octahedra,  an edgeedge with one Yb(6)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra,  an edgeedge with one Yb(3)S7 pentagonal bipyramid, edges with two equivalent Yb(1)S7 pentagonal bipyramids, and  an edgeedge with one Mn(1)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-60°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(1), one S(12), one S(3), one S(6), and one S(7) atom to form distorted MnS5 trigonal bipyramids that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(7)S6 octahedra,  a cornercorner with one S(9)Yb4MnS octahedra, corners with two equivalent Yb(6)S6 octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid, corners with two equivalent Yb(1)S7 pentagonal bipyramids,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Yb(6)S6 octahedra,  an edgeedge with one Yb(7)S6 octahedra, and edges with two equivalent Yb(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 15-85°. In the second Mn site, Mn(2) is bonded to one S(10), one S(11), one S(2), one S(5), one S(8), and one S(9) atom to form distorted MnS6 octahedra that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(5)S6 octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid, corners with two equivalent Yb(1)S7 pentagonal bipyramids,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Yb(6)S6 octahedra,  an edgeedge with one Yb(7)S6 octahedra, edges with two equivalent Yb(4)S6 octahedra, and  an edgeedge with one Yb(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 12-57°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(3), one Yb(5), one Yb(6), and one Mn(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Yb(4), one Yb(5), and one Mn(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Yb(2), one Yb(3), one Yb(4), one Yb(7), one Mn(1), and one S(9) atom. In the fourth S site, S(4) is bonded to one Yb(1), one Yb(3), one Yb(5), and one Yb(7) atom to form distorted SYb4 tetrahedra that share corners with two equivalent S(9)Yb4MnS octahedra,  a cornercorner with one S(11)Yb4Mn square pyramid,  a cornercorner with one S(12)Yb4Mn square pyramid, corners with two equivalent S(8)Yb4Mn square pyramids,  a cornercorner with one S(5)Yb3Mn tetrahedra,  a cornercorner with one S(7)Yb4Mn trigonal bipyramid,  an edgeedge with one S(10)Yb4Mn square pyramid,  an edgeedge with one S(12)Yb4Mn square pyramid, and  an edgeedge with one S(7)Yb4Mn trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-10°. In the fifth S site, S(5) is bonded to one Yb(1), one Yb(2), one Yb(4), and one Mn(2) atom to form SYb3Mn tetrahedra that share corners with two equivalent S(9)Yb4MnS octahedra,  a cornercorner with one S(11)Yb4Mn square pyramid, corners with two equivalent S(8)Yb4Mn square pyramids,  a cornercorner with one S(4)Yb4 tetrahedra,  a cornercorner with one S(7)Yb4Mn trigonal bipyramid,  an edgeedge with one S(11)Yb4Mn square pyramid,  an edgeedge with one S(8)Yb4Mn square pyramid, and edges with two equivalent S(10)Yb4Mn square pyramids. The corner-sharing octahedral tilt angles range from 21-94°. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Yb(2), one Yb(3), one Yb(6), and one Mn(1) atom. In the seventh S site, S(7) is bonded to one Yb(1), one Yb(3), one Yb(6), one Yb(7), and one Mn(1) atom to form distorted SYb4Mn trigonal bipyramids that share  a cornercorner with one S(11)Yb4Mn square pyramid, corners with two equivalent S(10)Yb4Mn square pyramids,  a cornercorner with one S(5)Yb3Mn tetrahedra,  a cornercorner with one S(4)Yb4 tetrahedra,  an edgeedge with one S(9)Yb4MnS octahedra,  an edgeedge with one S(8)Yb4Mn square pyramid, edges with two equivalent S(12)Yb4Mn square pyramids, and  an edgeedge with one S(4)Yb4 tetrahedra. In the eighth S site, S(8) is bonded to one Yb(1), one Yb(2), one Yb(4), one Yb(7), and one Mn(2) atom to form SYb4Mn square pyramids that share  a cornercorner with one S(10)Yb4Mn square pyramid,  a cornercorner with one S(11)Yb4Mn square pyramid,  a cornercorner with one S(12)Yb4Mn square pyramid, corners with two equivalent S(5)Yb3Mn tetrahedra, corners with two equivalent S(4)Yb4 tetrahedra,  an edgeedge with one S(9)Yb4MnS octahedra,  an edgeedge with one S(11)Yb4Mn square pyramid, edges with two equivalent S(10)Yb4Mn square pyramids,  an edgeedge with one S(5)Yb3Mn tetrahedra, and  an edgeedge with one S(7)Yb4Mn trigonal bipyramid. In the ninth S site, S(9) is bonded to one Yb(2), one Yb(3), one Yb(5), one Yb(6), one Mn(2), and one S(3) atom to form distorted SYb4MnS octahedra that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(7)S6 octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid,  a cornercorner with one S(12)Yb4Mn square pyramid, corners with two equivalent S(10)Yb4Mn square pyramids, corners with two equivalent S(5)Yb3Mn tetrahedra, corners with two equivalent S(4)Yb4 tetrahedra,  a cornercorner with one Mn(1)S5 trigonal bipyramid,  an edgeedge with one S(12)Yb4Mn square pyramid,  an edgeedge with one S(8)Yb4Mn square pyramid, edges with two equivalent S(11)Yb4Mn square pyramids, and  an edgeedge with one S(7)Yb4Mn trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-80°. In the tenth S site, S(10) is bonded to one Yb(1), one Yb(2), one Yb(4), one Yb(7), and one Mn(2) atom to form distorted SYb4Mn square pyramids that share corners with two equivalent S(9)Yb4MnS octahedra,  a cornercorner with one S(11)Yb4Mn square pyramid,  a cornercorner with one S(12)Yb4Mn square pyramid,  a cornercorner with one S(8)Yb4Mn square pyramid, corners with two equivalent S(7)Yb4Mn trigonal bipyramids,  an edgeedge with one S(11)Yb4Mn square pyramid, edges with two equivalent S(8)Yb4Mn square pyramids,  an edgeedge with one S(4)Yb4 tetrahedra, and edges with two equivalent S(5)Yb3Mn tetrahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the eleventh S site, S(11) is bonded to one Yb(2), one Yb(4), one Yb(5), one Yb(6), and one Mn(2) atom to form SYb4Mn square pyramids that share  a cornercorner with one S(10)Yb4Mn square pyramid,  a cornercorner with one S(8)Yb4Mn square pyramid,  a cornercorner with one S(5)Yb3Mn tetrahedra,  a cornercorner with one S(4)Yb4 tetrahedra,  a cornercorner with one S(7)Yb4Mn trigonal bipyramid, edges with two equivalent S(9)Yb4MnS octahedra,  an edgeedge with one S(10)Yb4Mn square pyramid,  an edgeedge with one S(12)Yb4Mn square pyramid,  an edgeedge with one S(8)Yb4Mn square pyramid, and  an edgeedge with one S(5)Yb3Mn tetrahedra. In the twelfth S site, S(12) is bonded to one Yb(3), one Yb(5), one Yb(6), one Yb(7), and one Mn(1) atom to form SYb4Mn square pyramids that share  a cornercorner with one S(9)Yb4MnS octahedra,  a cornercorner with one S(10)Yb4Mn square pyramid,  a cornercorner with one S(8)Yb4Mn square pyramid,  a cornercorner with one S(4)Yb4 tetrahedra,  an edgeedge with one S(9)Yb4MnS octahedra,  an edgeedge with one S(11)Yb4Mn square pyramid,  an edgeedge with one S(4)Yb4 tetrahedra, and edges with two equivalent S(7)Yb4Mn trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. is represented by the CIF card [CIF]
data_Yb7(MnS6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   11.786
_cell_length_c   11.947
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.977
_symmetry_Int_Tables_number   1
_cell_volume   920.769
_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  0.235  0.531  0.797  1.0
  Yb  Yb1  1  0.203  0.212  0.768  1.0
  Yb  Yb2  1  0.228  0.854  0.780  1.0
  Yb  Yb3  1  0.772  0.813  0.280  1.0
  Yb  Yb4  1  0.797  0.455  0.268  1.0
  Yb  Yb5  1  0.765  0.136  0.297  1.0
  Yb  Yb6  1  0.709  0.303  0.585  1.0
  Yb  Yb7  1  0.729  0.612  0.577  1.0
  Yb  Yb8  1  0.271  0.054  0.077  1.0
  Yb  Yb9  1  0.291  0.363  0.085  1.0
  Yb  Yb10  1  0.757  0.951  0.944  1.0
  Yb  Yb11  1  0.774  0.618  0.958  1.0
  Yb  Yb12  1  0.226  0.048  0.458  1.0
  Yb  Yb13  1  0.243  0.715  0.444  1.0
  Mn  Mn14  1  0.711  0.914  0.596  1.0
  Mn  Mn15  1  0.289  0.752  0.096  1.0
  Mn  Mn16  1  0.772  0.302  0.948  1.0
  Mn  Mn17  1  0.228  0.365  0.448  1.0
  S  S18  1  0.474  0.750  0.642  1.0
  S  S19  1  0.405  0.420  0.619  1.0
  S  S20  1  0.510  0.055  0.666  1.0
  S  S21  1  0.490  0.612  0.166  1.0
  S  S22  1  0.595  0.247  0.119  1.0
  S  S23  1  0.526  0.917  0.142  1.0
  S  S24  1  0.954  0.650  0.759  1.0
  S  S25  1  0.924  0.335  0.778  1.0
  S  S26  1  0.944  0.984  0.732  1.0
  S  S27  1  0.056  0.683  0.232  1.0
  S  S28  1  0.076  0.332  0.278  1.0
  S  S29  1  0.046  0.017  0.259  1.0
  S  S30  1  0.456  0.729  0.930  1.0
  S  S31  1  0.517  0.398  0.891  1.0
  S  S32  1  0.502  0.085  0.844  1.0
  S  S33  1  0.498  0.582  0.344  1.0
  S  S34  1  0.483  0.269  0.391  1.0
  S  S35  1  0.544  0.937  0.430  1.0
  S  S36  1  0.982  0.463  0.024  1.0
  S  S37  1  0.004  0.176  0.987  1.0
  S  S38  1  0.061  0.835  0.001  1.0
  S  S39  1  0.939  0.832  0.501  1.0
  S  S40  1  0.996  0.491  0.487  1.0
  S  S41  1  0.018  0.204  0.524  1.0
[/CIF]
.
The compound described by Yb7(MnS6)2 crystallizes in the monoclinic P2_1 space group. There are seven inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one S(1), one S(10), one S(2), one S(4), one S(5), one S(7), and one S(8) atom to form distorted YbS7 pentagonal bipyramids that share  a cornercorner with one Yb(5)S6 octahedra, corners with two equivalent Yb(4)S6 octahedra, corners with two equivalent Yb(6)S6 octahedra, corners with two equivalent Mn(2)S6 octahedra, corners with two equivalent Mn(1)S5 trigonal bipyramids,  an edgeedge with one Yb(4)S6 octahedra,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra, edges with two equivalent Yb(7)S6 octahedra, and  a faceface with one Yb(3)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 7-77°. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(2), one S(3), one S(5), one S(6), one S(8), and one S(9) atom. In the third Yb site, Yb(3) is bonded to one S(1), one S(12), one S(3), one S(4), one S(6), one S(7), and one S(9) atom to form distorted YbS7 pentagonal bipyramids that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(6)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one S(9)Yb4MnS octahedra, corners with two equivalent Yb(5)S6 octahedra, corners with two equivalent Yb(7)S6 octahedra,  a cornercorner with one Mn(1)S5 trigonal bipyramid,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Yb(7)S6 octahedra, edges with two equivalent Yb(6)S6 octahedra, edges with two equivalent Mn(1)S5 trigonal bipyramids, and  a faceface with one Yb(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 10-111°. In the fourth Yb site, Yb(4) is bonded to one S(10), one S(11), one S(2), one S(3), one S(5), and one S(8) atom to form distorted YbS6 octahedra that share  a cornercorner with one Yb(6)S6 octahedra,  a cornercorner with one Yb(7)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one S(9)Yb4MnS octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid, corners with two equivalent Yb(1)S7 pentagonal bipyramids,  a cornercorner with one Mn(1)S5 trigonal bipyramid,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Yb(7)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and  an edgeedge with one Yb(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 17-80°. In the fifth Yb site, Yb(5) is bonded to one S(1), one S(11), one S(12), one S(2), one S(4), and one S(9) atom to form distorted YbS6 octahedra that share  a cornercorner with one Mn(2)S6 octahedra, corners with two equivalent Yb(7)S6 octahedra,  a cornercorner with one Yb(1)S7 pentagonal bipyramid, corners with two equivalent Yb(3)S7 pentagonal bipyramids,  an edgeedge with one Yb(4)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra, edges with two equivalent Yb(6)S6 octahedra,  an edgeedge with one Yb(1)S7 pentagonal bipyramid,  an edgeedge with one Yb(3)S7 pentagonal bipyramid, and  an edgeedge with one Mn(1)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-60°. In the sixth Yb site, Yb(6) is bonded to one S(1), one S(11), one S(12), one S(6), one S(7), and one S(9) atom to form YbS6 octahedra that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid, corners with two equivalent Yb(1)S7 pentagonal bipyramids, corners with two equivalent Mn(1)S5 trigonal bipyramids,  an edgeedge with one Yb(7)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra, edges with two equivalent Yb(5)S6 octahedra, edges with two equivalent Yb(3)S7 pentagonal bipyramids, and  an edgeedge with one Mn(1)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 18°. In the seventh Yb site, Yb(7) is bonded to one S(10), one S(12), one S(3), one S(4), one S(7), and one S(8) atom to form distorted YbS6 octahedra that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one S(9)Yb4MnS octahedra, corners with two equivalent Yb(5)S6 octahedra, corners with two equivalent Yb(3)S7 pentagonal bipyramids,  a cornercorner with one Mn(1)S5 trigonal bipyramid,  an edgeedge with one Yb(4)S6 octahedra,  an edgeedge with one Yb(6)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra,  an edgeedge with one Yb(3)S7 pentagonal bipyramid, edges with two equivalent Yb(1)S7 pentagonal bipyramids, and  an edgeedge with one Mn(1)S5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-60°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(1), one S(12), one S(3), one S(6), and one S(7) atom to form distorted MnS5 trigonal bipyramids that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(7)S6 octahedra,  a cornercorner with one S(9)Yb4MnS octahedra, corners with two equivalent Yb(6)S6 octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid, corners with two equivalent Yb(1)S7 pentagonal bipyramids,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Yb(6)S6 octahedra,  an edgeedge with one Yb(7)S6 octahedra, and edges with two equivalent Yb(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 15-85°. In the second Mn site, Mn(2) is bonded to one S(10), one S(11), one S(2), one S(5), one S(8), and one S(9) atom to form distorted MnS6 octahedra that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(5)S6 octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid, corners with two equivalent Yb(1)S7 pentagonal bipyramids,  an edgeedge with one Yb(5)S6 octahedra,  an edgeedge with one Yb(6)S6 octahedra,  an edgeedge with one Yb(7)S6 octahedra, edges with two equivalent Yb(4)S6 octahedra, and  an edgeedge with one Yb(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 12-57°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(3), one Yb(5), one Yb(6), and one Mn(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Yb(4), one Yb(5), and one Mn(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Yb(2), one Yb(3), one Yb(4), one Yb(7), one Mn(1), and one S(9) atom. In the fourth S site, S(4) is bonded to one Yb(1), one Yb(3), one Yb(5), and one Yb(7) atom to form distorted SYb4 tetrahedra that share corners with two equivalent S(9)Yb4MnS octahedra,  a cornercorner with one S(11)Yb4Mn square pyramid,  a cornercorner with one S(12)Yb4Mn square pyramid, corners with two equivalent S(8)Yb4Mn square pyramids,  a cornercorner with one S(5)Yb3Mn tetrahedra,  a cornercorner with one S(7)Yb4Mn trigonal bipyramid,  an edgeedge with one S(10)Yb4Mn square pyramid,  an edgeedge with one S(12)Yb4Mn square pyramid, and  an edgeedge with one S(7)Yb4Mn trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-10°. In the fifth S site, S(5) is bonded to one Yb(1), one Yb(2), one Yb(4), and one Mn(2) atom to form SYb3Mn tetrahedra that share corners with two equivalent S(9)Yb4MnS octahedra,  a cornercorner with one S(11)Yb4Mn square pyramid, corners with two equivalent S(8)Yb4Mn square pyramids,  a cornercorner with one S(4)Yb4 tetrahedra,  a cornercorner with one S(7)Yb4Mn trigonal bipyramid,  an edgeedge with one S(11)Yb4Mn square pyramid,  an edgeedge with one S(8)Yb4Mn square pyramid, and edges with two equivalent S(10)Yb4Mn square pyramids. The corner-sharing octahedral tilt angles range from 21-94°. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Yb(2), one Yb(3), one Yb(6), and one Mn(1) atom. In the seventh S site, S(7) is bonded to one Yb(1), one Yb(3), one Yb(6), one Yb(7), and one Mn(1) atom to form distorted SYb4Mn trigonal bipyramids that share  a cornercorner with one S(11)Yb4Mn square pyramid, corners with two equivalent S(10)Yb4Mn square pyramids,  a cornercorner with one S(5)Yb3Mn tetrahedra,  a cornercorner with one S(4)Yb4 tetrahedra,  an edgeedge with one S(9)Yb4MnS octahedra,  an edgeedge with one S(8)Yb4Mn square pyramid, edges with two equivalent S(12)Yb4Mn square pyramids, and  an edgeedge with one S(4)Yb4 tetrahedra. In the eighth S site, S(8) is bonded to one Yb(1), one Yb(2), one Yb(4), one Yb(7), and one Mn(2) atom to form SYb4Mn square pyramids that share  a cornercorner with one S(10)Yb4Mn square pyramid,  a cornercorner with one S(11)Yb4Mn square pyramid,  a cornercorner with one S(12)Yb4Mn square pyramid, corners with two equivalent S(5)Yb3Mn tetrahedra, corners with two equivalent S(4)Yb4 tetrahedra,  an edgeedge with one S(9)Yb4MnS octahedra,  an edgeedge with one S(11)Yb4Mn square pyramid, edges with two equivalent S(10)Yb4Mn square pyramids,  an edgeedge with one S(5)Yb3Mn tetrahedra, and  an edgeedge with one S(7)Yb4Mn trigonal bipyramid. In the ninth S site, S(9) is bonded to one Yb(2), one Yb(3), one Yb(5), one Yb(6), one Mn(2), and one S(3) atom to form distorted SYb4MnS octahedra that share  a cornercorner with one Yb(4)S6 octahedra,  a cornercorner with one Yb(7)S6 octahedra,  a cornercorner with one Yb(3)S7 pentagonal bipyramid,  a cornercorner with one S(12)Yb4Mn square pyramid, corners with two equivalent S(10)Yb4Mn square pyramids, corners with two equivalent S(5)Yb3Mn tetrahedra, corners with two equivalent S(4)Yb4 tetrahedra,  a cornercorner with one Mn(1)S5 trigonal bipyramid,  an edgeedge with one S(12)Yb4Mn square pyramid,  an edgeedge with one S(8)Yb4Mn square pyramid, edges with two equivalent S(11)Yb4Mn square pyramids, and  an edgeedge with one S(7)Yb4Mn trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-80°. In the tenth S site, S(10) is bonded to one Yb(1), one Yb(2), one Yb(4), one Yb(7), and one Mn(2) atom to form distorted SYb4Mn square pyramids that share corners with two equivalent S(9)Yb4MnS octahedra,  a cornercorner with one S(11)Yb4Mn square pyramid,  a cornercorner with one S(12)Yb4Mn square pyramid,  a cornercorner with one S(8)Yb4Mn square pyramid, corners with two equivalent S(7)Yb4Mn trigonal bipyramids,  an edgeedge with one S(11)Yb4Mn square pyramid, edges with two equivalent S(8)Yb4Mn square pyramids,  an edgeedge with one S(4)Yb4 tetrahedra, and edges with two equivalent S(5)Yb3Mn tetrahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the eleventh S site, S(11) is bonded to one Yb(2), one Yb(4), one Yb(5), one Yb(6), and one Mn(2) atom to form SYb4Mn square pyramids that share  a cornercorner with one S(10)Yb4Mn square pyramid,  a cornercorner with one S(8)Yb4Mn square pyramid,  a cornercorner with one S(5)Yb3Mn tetrahedra,  a cornercorner with one S(4)Yb4 tetrahedra,  a cornercorner with one S(7)Yb4Mn trigonal bipyramid, edges with two equivalent S(9)Yb4MnS octahedra,  an edgeedge with one S(10)Yb4Mn square pyramid,  an edgeedge with one S(12)Yb4Mn square pyramid,  an edgeedge with one S(8)Yb4Mn square pyramid, and  an edgeedge with one S(5)Yb3Mn tetrahedra. In the twelfth S site, S(12) is bonded to one Yb(3), one Yb(5), one Yb(6), one Yb(7), and one Mn(1) atom to form SYb4Mn square pyramids that share  a cornercorner with one S(9)Yb4MnS octahedra,  a cornercorner with one S(10)Yb4Mn square pyramid,  a cornercorner with one S(8)Yb4Mn square pyramid,  a cornercorner with one S(4)Yb4 tetrahedra,  an edgeedge with one S(9)Yb4MnS octahedra,  an edgeedge with one S(11)Yb4Mn square pyramid,  an edgeedge with one S(4)Yb4 tetrahedra, and edges with two equivalent S(7)Yb4Mn trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. is represented by the CIF card [CIF]
data_Yb7(MnS6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   11.786
_cell_length_c   11.947
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.977
_symmetry_Int_Tables_number   1
_cell_volume   920.769
_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  0.235  0.531  0.797  1.0
  Yb  Yb1  1  0.203  0.212  0.768  1.0
  Yb  Yb2  1  0.228  0.854  0.780  1.0
  Yb  Yb3  1  0.772  0.813  0.280  1.0
  Yb  Yb4  1  0.797  0.455  0.268  1.0
  Yb  Yb5  1  0.765  0.136  0.297  1.0
  Yb  Yb6  1  0.709  0.303  0.585  1.0
  Yb  Yb7  1  0.729  0.612  0.577  1.0
  Yb  Yb8  1  0.271  0.054  0.077  1.0
  Yb  Yb9  1  0.291  0.363  0.085  1.0
  Yb  Yb10  1  0.757  0.951  0.944  1.0
  Yb  Yb11  1  0.774  0.618  0.958  1.0
  Yb  Yb12  1  0.226  0.048  0.458  1.0
  Yb  Yb13  1  0.243  0.715  0.444  1.0
  Mn  Mn14  1  0.711  0.914  0.596  1.0
  Mn  Mn15  1  0.289  0.752  0.096  1.0
  Mn  Mn16  1  0.772  0.302  0.948  1.0
  Mn  Mn17  1  0.228  0.365  0.448  1.0
  S  S18  1  0.474  0.750  0.642  1.0
  S  S19  1  0.405  0.420  0.619  1.0
  S  S20  1  0.510  0.055  0.666  1.0
  S  S21  1  0.490  0.612  0.166  1.0
  S  S22  1  0.595  0.247  0.119  1.0
  S  S23  1  0.526  0.917  0.142  1.0
  S  S24  1  0.954  0.650  0.759  1.0
  S  S25  1  0.924  0.335  0.778  1.0
  S  S26  1  0.944  0.984  0.732  1.0
  S  S27  1  0.056  0.683  0.232  1.0
  S  S28  1  0.076  0.332  0.278  1.0
  S  S29  1  0.046  0.017  0.259  1.0
  S  S30  1  0.456  0.729  0.930  1.0
  S  S31  1  0.517  0.398  0.891  1.0
  S  S32  1  0.502  0.085  0.844  1.0
  S  S33  1  0.498  0.582  0.344  1.0
  S  S34  1  0.483  0.269  0.391  1.0
  S  S35  1  0.544  0.937  0.430  1.0
  S  S36  1  0.982  0.463  0.024  1.0
  S  S37  1  0.004  0.176  0.987  1.0
  S  S38  1  0.061  0.835  0.001  1.0
  S  S39  1  0.939  0.832  0.501  1.0
  S  S40  1  0.996  0.491  0.487  1.0
  S  S41  1  0.018  0.204  0.524  1.0
[/CIF]
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