The material structure described by Ho14(PbS8)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to one S(1), one S(13), one S(14), one S(15), one S(16), one S(2), one S(23), and one S(5) atom. In the second Ho site, Ho(2) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(14), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. In the third Ho site, Ho(3) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(19), one S(21), one S(3), one S(4), one S(6), and one S(9) atom. In the fourth Ho site, Ho(4) is bonded in a 8-coordinate geometry to one S(1), one S(14), one S(16), one S(2), one S(23), one S(3), one S(5), and one S(6) atom. In the fifth Ho site, Ho(5) is bonded in a 8-coordinate geometry to one S(10), one S(12), one S(19), one S(20), one S(21), one S(7), one S(8), and one S(9) atom. In the sixth Ho site, Ho(6) is bonded in a 8-coordinate geometry to one S(12), one S(17), one S(18), one S(20), one S(22), one S(24), one S(7), and one S(8) atom. In the seventh Ho site, Ho(7) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(11), one S(14), one S(3), one S(4), one S(6), and one S(9) atom. In the eighth Ho site, Ho(8) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(12), one S(19), one S(21), one S(4), one S(7), and one S(9) atom. In the ninth Ho site, Ho(9) is bonded in a 8-coordinate geometry to one S(1), one S(14), one S(15), one S(16), one S(2), one S(23), one S(5), and one S(6) atom. In the tenth Ho site, Ho(10) is bonded in a 8-coordinate geometry to one S(13), one S(15), one S(16), one S(17), one S(18), one S(22), one S(23), and one S(24) atom. In the eleventh Ho site, Ho(11) is bonded in a 8-coordinate geometry to one S(12), one S(17), one S(18), one S(19), one S(20), one S(21), one S(7), and one S(8) atom. In the twelfth Ho site, Ho(12) is bonded in a 8-coordinate geometry to one S(13), one S(15), one S(17), one S(18), one S(20), one S(22), one S(24), and one S(8) atom. In the thirteenth Ho site, Ho(13) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(12), one S(19), one S(21), one S(3), one S(4), and one S(9) atom. In the fourteenth Ho site, Ho(14) is bonded in a 8-coordinate geometry to one S(13), one S(15), one S(16), one S(2), one S(22), one S(23), one S(24), and one S(5) atom. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one S(10), one S(12), one S(17), one S(19), one S(20), one S(21), one S(7), and one S(8) atom. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to one S(13), one S(15), one S(16), one S(18), one S(2), one S(22), one S(23), and one S(24) atom. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to one S(13), one S(17), one S(18), one S(20), one S(22), one S(24), one S(7), and one S(8) atom. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded to one Ho(1), one Ho(2), one Ho(4), one Ho(7), and one Ho(9) atom to form distorted SHo5 trigonal bipyramids that share  a cornercorner with one S(10)Ho5Pb octahedra,  a cornercorner with one S(16)Ho5Pb octahedra,  a cornercorner with one S(2)Ho5Pb octahedra,  a cornercorner with one S(3)Ho5 square pyramid,  a cornercorner with one S(9)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids, corners with two equivalent S(5)Ho5 square pyramids,  an edgeedge with one S(16)Ho5Pb octahedra,  an edgeedge with one S(14)Ho5 square pyramid,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(5)Ho5 square pyramid, edges with two equivalent S(6)Ho5 square pyramids,  an edgeedge with one S(11)Ho5 trigonal bipyramid,  a faceface with one S(2)Ho5Pb octahedra, and  a faceface with one S(14)Ho5 square pyramid. The corner-sharing octahedral tilt angles range from 42-52°. In the second S site, S(2) is bonded to one Ho(1), one Ho(14), one Ho(2), one Ho(4), one Ho(9), and one Pb(2) atom to form distorted SHo5Pb octahedra that share  a cornercorner with one S(16)Ho5Pb octahedra,  a cornercorner with one S(4)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids, corners with two equivalent S(3)Ho5 square pyramids, corners with two equivalent S(5)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid,  a cornercorner with one S(11)Ho5 trigonal bipyramid, edges with two equivalent S(16)Ho5Pb octahedra,  an edgeedge with one S(14)Ho5 square pyramid,  a faceface with one S(5)Ho5 square pyramid,  a faceface with one S(6)Ho5 square pyramid, and  a faceface with one S(1)Ho5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. In the third S site, S(3) is bonded to one Ho(13), one Ho(2), one Ho(3), one Ho(4), and one Ho(7) atom to form SHo5 square pyramids that share  a cornercorner with one S(16)Ho5Pb octahedra, corners with two equivalent S(2)Ho5Pb octahedra, corners with two equivalent S(21)Ho5Pb octahedra,  a cornercorner with one S(9)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids, corners with two equivalent S(6)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid,  an edgeedge with one S(4)Ho5 square pyramid,  an edgeedge with one S(5)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(9)Ho5 square pyramid,  an edgeedge with one S(1)Ho5 trigonal bipyramid, edges with two equivalent S(11)Ho5 trigonal bipyramids,  a faceface with one S(10)Ho5Pb octahedra, and  a faceface with one S(14)Ho5 square pyramid. The corner-sharing octahedral tilt angles range from 21-49°. In the fourth S site, S(4) is bonded to one Ho(13), one Ho(2), one Ho(3), one Ho(7), and one Ho(8) atom to form distorted SHo5 square pyramids that share  a cornercorner with one S(2)Ho5Pb octahedra, corners with two equivalent S(10)Ho5Pb octahedra,  a cornercorner with one S(5)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids, corners with two equivalent S(3)Ho5 square pyramids, corners with two equivalent S(9)Ho5 square pyramids, corners with two equivalent S(1)Ho5 trigonal bipyramids,  an edgeedge with one S(10)Ho5Pb octahedra,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(9)Ho5 square pyramid,  an edgeedge with one S(11)Ho5 trigonal bipyramid,  a faceface with one S(21)Ho5Pb octahedra,  a faceface with one S(6)Ho5 square pyramid, and  a faceface with one S(11)Ho5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-46°. In the fifth S site, S(5) is bonded to one Ho(1), one Ho(14), one Ho(2), one Ho(4), and one Ho(9) atom to form distorted SHo5 square pyramids that share corners with two equivalent S(16)Ho5Pb octahedra, corners with two equivalent S(2)Ho5Pb octahedra,  a cornercorner with one S(4)Ho5 square pyramid,  a cornercorner with one S(6)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids,  a cornercorner with one S(11)Ho5 trigonal bipyramid, corners with two equivalent S(1)Ho5 trigonal bipyramids,  an edgeedge with one S(16)Ho5Pb octahedra,  an edgeedge with one S(14)Ho5 square pyramid,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(1)Ho5 trigonal bipyramid, and  a faceface with one S(2)Ho5Pb octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the sixth S site, S(6) is bonded to one Ho(2), one Ho(3), one Ho(4), one Ho(7), and one Ho(9) atom to form SHo5 square pyramids that share  a cornercorner with one S(21)Ho5Pb octahedra, corners with two equivalent S(10)Ho5Pb octahedra, corners with two equivalent S(16)Ho5Pb octahedra,  a cornercorner with one S(5)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids, corners with two equivalent S(3)Ho5 square pyramids,  a cornercorner with one S(11)Ho5 trigonal bipyramid,  an edgeedge with one S(14)Ho5 square pyramid,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(5)Ho5 square pyramid,  an edgeedge with one S(9)Ho5 square pyramid,  an edgeedge with one S(11)Ho5 trigonal bipyramid, edges with two equivalent S(1)Ho5 trigonal bipyramids,  a faceface with one S(2)Ho5Pb octahedra, and  a faceface with one S(4)Ho5 square pyramid. The corner-sharing octahedral tilt angles range from 21-49°. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(5), one Ho(6), one Ho(8), one Pb(1), and one Pb(3) atom. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(12), one Ho(5), one Ho(6), one Pb(1), and one Pb(3) atom. In the ninth S site, S(9) is bonded to one Ho(13), one Ho(3), one Ho(5), one Ho(7), and one Ho(8) atom to form distorted SHo5 square pyramids that share corners with two equivalent S(10)Ho5Pb octahedra, corners with two equivalent S(21)Ho5Pb octahedra,  a cornercorner with one S(14)Ho5 square pyramid,  a cornercorner with one S(3)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid, corners with two equivalent S(11)Ho5 trigonal bipyramids,  an edgeedge with one S(21)Ho5Pb octahedra,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(4)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(11)Ho5 trigonal bipyramid, and  a faceface with one S(10)Ho5Pb octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the tenth S site, S(10) is bonded to one Ho(13), one Ho(3), one Ho(5), one Ho(7), one Ho(8), and one Pb(1) atom to form distorted SHo5Pb octahedra that share  a cornercorner with one S(21)Ho5Pb octahedra,  a cornercorner with one S(14)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids, corners with two equivalent S(6)Ho5 square pyramids, corners with two equivalent S(9)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid,  a cornercorner with one S(11)Ho5 trigonal bipyramid, edges with two equivalent S(21)Ho5Pb octahedra,  an edgeedge with one S(4)Ho5 square pyramid,  a faceface with one S(3)Ho5 square pyramid,  a faceface with one S(9)Ho5 square pyramid, and  a faceface with one S(11)Ho5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. In the eleventh S site, S(11) is bonded to one Ho(13), one Ho(2), one Ho(3), one Ho(7), and one Ho(8) atom to form distorted SHo5 trigonal bipyramids that share  a cornercorner with one S(10)Ho5Pb octahedra,  a cornercorner with one S(2)Ho5Pb octahedra,  a cornercorner with one S(21)Ho5Pb octahedra,  a cornercorner with one S(5)Ho5 square pyramid,  a cornercorner with one S(6)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids, corners with two equivalent S(9)Ho5 square pyramids,  an edgeedge with one S(21)Ho5Pb octahedra,  an edgeedge with one S(4)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(9)Ho5 square pyramid, edges with two equivalent S(3)Ho5 square pyramids,  an edgeedge with one S(1)Ho5 trigonal bipyramid,  a faceface with one S(10)Ho5Pb octahedra, and  a faceface with one S(4)Ho5 square pyramid. The corner-sharing octahedral tilt angles range from 43-52°. In the twelfth S site, S(12) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(13), one Ho(5), one Ho(6), one Ho(8), and one Pb(1) atom. In the thirteenth S site, S(13) is bonded in a 6-coordinate geometry to one Ho(1), one Ho(10), one Ho(12), one Ho(14), one Pb(2), and one Pb(3) atom. In the fourteenth S site, S(14) is bonded to one Ho(1), one Ho(2), one Ho(4), one Ho(7), and one Ho(9) atom to form distorted SHo5 square pyramids that share  a cornercorner with one S(10)Ho5Pb octahedra, corners with two equivalent S(2)Ho5Pb octahedra,  a cornercorner with one S(9)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids, corners with two equivalent S(5)Ho5 square pyramids, corners with two equivalent S(6)Ho5 square pyramids, corners with two equivalent S(11)Ho5 trigonal bipyramids,  an edgeedge with one S(2)Ho5Pb octahedra,  an edgeedge with one S(5)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(1)Ho5 trigonal bipyramid,  a faceface with one S(16)Ho5Pb octahedra,  a faceface with one S(3)Ho5 square pyramid, and  a faceface with one S(1)Ho5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-46°. In the fifteenth S site, S(15) is bonded in a 6-coordinate geometry to one Ho(1), one Ho(10), one Ho(12), one Ho(14), one Ho(9), and one Pb(2) atom. In the sixteenth S site, S(16) is bonded to one Ho(1), one Ho(10), one Ho(14), one Ho(4), one Ho(9), and one Pb(2) atom to form distorted SHo5Pb octahedra that share  a cornercorner with one S(2)Ho5Pb octahedra,  a cornercorner with one S(3)Ho5 square pyramid, corners with two equivalent S(5)Ho5 square pyramids, corners with two equivalent S(6)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid, edges with two equivalent S(2)Ho5Pb octahedra,  an edgeedge with one S(5)Ho5 square pyramid,  an edgeedge with one S(1)Ho5 trigonal bipyramid, and  a faceface with one S(14)Ho5 square pyramid. The corner-sharing octahedral tilt angles are 44°. In the seventeenth S site, S(17) is bonded in a 6-coordinate geometry to one Ho(10), one Ho(11), one Ho(12), one Ho(6), one Pb(1), and one Pb(3) atom. In the eighteenth S site, S(18) is bonded in a 6-coordinate geometry to one Ho(10), one Ho(11), one Ho(12), one Ho(6), one Pb(2), and one Pb(3) atom. In the nineteenth S site, S(19) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(13), one Ho(3), one Ho(5), one Ho(8), and one Pb(1) atom. In the twentieth S site, S(20) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(12), one Ho(5), one Ho(6), one Pb(1), and one Pb(3) atom. In the twenty-first S site, S(21) is bonded to one Ho(11), one Ho(13), one Ho(3), one Ho(5), one Ho(8), and one Pb(1) atom to form distorted SHo5Pb octahedra that share  a cornercorner with one S(10)Ho5Pb octahedra,  a cornercorner with one S(6)Ho5 square pyramid, corners with two equivalent S(3)Ho5 square pyramids, corners with two equivalent S(9)Ho5 square pyramids,  a cornercorner with one S(11)Ho5 trigonal bipyramid, edges with two equivalent S(10)Ho5Pb octahedra,  an edgeedge with one S(9)Ho5 square pyramid,  an edgeedge with one S(11)Ho5 trigonal bipyramid, and  a faceface with one S(4)Ho5 square pyramid. The corner-sharing octahedral tilt angles are 44°. In the twenty-second S site, S(22) is bonded in a 6-coordinate geometry to one Ho(10), one Ho(12), one Ho(14), one Ho(6), one Pb(2), and one Pb(3) atom. In the twenty-third S site, S(23) is bonded in a 6-coordinate geometry to one Ho(1), one Ho(10), one Ho(14), one Ho(4), one Ho(9), and one Pb(2) atom. In the twenty-fourth S site, S(24) is bonded in a 6-coordinate geometry to one Ho(10), one Ho(12), one Ho(14), one Ho(6), one Pb(2), and one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho14(PbS8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.271
_cell_length_b   7.271
_cell_length_c   18.845
_cell_angle_alpha   75.025
_cell_angle_beta   75.025
_cell_angle_gamma   70.093
_symmetry_Int_Tables_number   1
_cell_volume   888.990
_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
  Ho  Ho0  1  0.789  0.287  0.802  1.0
  Ho  Ho1  1  0.818  0.823  0.961  1.0
  Ho  Ho2  1  0.130  0.614  0.121  1.0
  Ho  Ho3  1  0.386  0.870  0.879  1.0
  Ho  Ho4  1  0.162  0.164  0.287  1.0
  Ho  Ho5  1  0.457  0.957  0.462  1.0
  Ho  Ho6  1  0.177  0.182  0.039  1.0
  Ho  Ho7  1  0.707  0.206  0.195  1.0
  Ho  Ho8  1  0.202  0.454  0.836  1.0
  Ho  Ho9  1  0.496  0.491  0.627  1.0
  Ho  Ho10  1  0.509  0.504  0.373  1.0
  Ho  Ho11  1  0.043  0.543  0.538  1.0
  Ho  Ho12  1  0.546  0.798  0.164  1.0
  Ho  Ho13  1  0.836  0.838  0.713  1.0
  Pb  Pb14  1  0.961  0.709  0.330  1.0
  Pb  Pb15  1  0.291  0.039  0.670  1.0
  Pb  Pb16  1  0.878  0.122  0.500  1.0
  S  S17  1  0.040  0.158  0.914  1.0
  S  S18  1  0.037  0.900  0.802  1.0
  S  S19  1  0.415  0.795  0.036  1.0
  S  S20  1  0.839  0.480  0.081  1.0
  S  S21  1  0.765  0.621  0.864  1.0
  S  S22  1  0.205  0.585  0.964  1.0
  S  S23  1  0.746  0.122  0.364  1.0
  S  S24  1  0.187  0.801  0.417  1.0
  S  S25  1  0.379  0.235  0.136  1.0
  S  S26  1  0.100  0.963  0.198  1.0
  S  S27  1  0.842  0.960  0.086  1.0
  S  S28  1  0.536  0.908  0.290  1.0
  S  S29  1  0.878  0.254  0.636  1.0
  S  S30  1  0.520  0.161  0.919  1.0
  S  S31  1  0.092  0.464  0.710  1.0
  S  S32  1  0.506  0.138  0.754  1.0
  S  S33  1  0.700  0.578  0.466  1.0
  S  S34  1  0.422  0.300  0.534  1.0
  S  S35  1  0.376  0.495  0.243  1.0
  S  S36  1  0.186  0.303  0.411  1.0
  S  S37  1  0.862  0.494  0.246  1.0
  S  S38  1  0.697  0.814  0.589  1.0
  S  S39  1  0.505  0.624  0.757  1.0
  S  S40  1  0.199  0.813  0.583  1.0
[/CIF]
.
The material structure described by Ho14(PbS8)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to one S(1), one S(13), one S(14), one S(15), one S(16), one S(2), one S(23), and one S(5) atom. In the second Ho site, Ho(2) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(14), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. In the third Ho site, Ho(3) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(19), one S(21), one S(3), one S(4), one S(6), and one S(9) atom. In the fourth Ho site, Ho(4) is bonded in a 8-coordinate geometry to one S(1), one S(14), one S(16), one S(2), one S(23), one S(3), one S(5), and one S(6) atom. In the fifth Ho site, Ho(5) is bonded in a 8-coordinate geometry to one S(10), one S(12), one S(19), one S(20), one S(21), one S(7), one S(8), and one S(9) atom. In the sixth Ho site, Ho(6) is bonded in a 8-coordinate geometry to one S(12), one S(17), one S(18), one S(20), one S(22), one S(24), one S(7), and one S(8) atom. In the seventh Ho site, Ho(7) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(11), one S(14), one S(3), one S(4), one S(6), and one S(9) atom. In the eighth Ho site, Ho(8) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(12), one S(19), one S(21), one S(4), one S(7), and one S(9) atom. In the ninth Ho site, Ho(9) is bonded in a 8-coordinate geometry to one S(1), one S(14), one S(15), one S(16), one S(2), one S(23), one S(5), and one S(6) atom. In the tenth Ho site, Ho(10) is bonded in a 8-coordinate geometry to one S(13), one S(15), one S(16), one S(17), one S(18), one S(22), one S(23), and one S(24) atom. In the eleventh Ho site, Ho(11) is bonded in a 8-coordinate geometry to one S(12), one S(17), one S(18), one S(19), one S(20), one S(21), one S(7), and one S(8) atom. In the twelfth Ho site, Ho(12) is bonded in a 8-coordinate geometry to one S(13), one S(15), one S(17), one S(18), one S(20), one S(22), one S(24), and one S(8) atom. In the thirteenth Ho site, Ho(13) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(12), one S(19), one S(21), one S(3), one S(4), and one S(9) atom. In the fourteenth Ho site, Ho(14) is bonded in a 8-coordinate geometry to one S(13), one S(15), one S(16), one S(2), one S(22), one S(23), one S(24), and one S(5) atom. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one S(10), one S(12), one S(17), one S(19), one S(20), one S(21), one S(7), and one S(8) atom. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to one S(13), one S(15), one S(16), one S(18), one S(2), one S(22), one S(23), and one S(24) atom. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to one S(13), one S(17), one S(18), one S(20), one S(22), one S(24), one S(7), and one S(8) atom. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded to one Ho(1), one Ho(2), one Ho(4), one Ho(7), and one Ho(9) atom to form distorted SHo5 trigonal bipyramids that share  a cornercorner with one S(10)Ho5Pb octahedra,  a cornercorner with one S(16)Ho5Pb octahedra,  a cornercorner with one S(2)Ho5Pb octahedra,  a cornercorner with one S(3)Ho5 square pyramid,  a cornercorner with one S(9)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids, corners with two equivalent S(5)Ho5 square pyramids,  an edgeedge with one S(16)Ho5Pb octahedra,  an edgeedge with one S(14)Ho5 square pyramid,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(5)Ho5 square pyramid, edges with two equivalent S(6)Ho5 square pyramids,  an edgeedge with one S(11)Ho5 trigonal bipyramid,  a faceface with one S(2)Ho5Pb octahedra, and  a faceface with one S(14)Ho5 square pyramid. The corner-sharing octahedral tilt angles range from 42-52°. In the second S site, S(2) is bonded to one Ho(1), one Ho(14), one Ho(2), one Ho(4), one Ho(9), and one Pb(2) atom to form distorted SHo5Pb octahedra that share  a cornercorner with one S(16)Ho5Pb octahedra,  a cornercorner with one S(4)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids, corners with two equivalent S(3)Ho5 square pyramids, corners with two equivalent S(5)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid,  a cornercorner with one S(11)Ho5 trigonal bipyramid, edges with two equivalent S(16)Ho5Pb octahedra,  an edgeedge with one S(14)Ho5 square pyramid,  a faceface with one S(5)Ho5 square pyramid,  a faceface with one S(6)Ho5 square pyramid, and  a faceface with one S(1)Ho5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. In the third S site, S(3) is bonded to one Ho(13), one Ho(2), one Ho(3), one Ho(4), and one Ho(7) atom to form SHo5 square pyramids that share  a cornercorner with one S(16)Ho5Pb octahedra, corners with two equivalent S(2)Ho5Pb octahedra, corners with two equivalent S(21)Ho5Pb octahedra,  a cornercorner with one S(9)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids, corners with two equivalent S(6)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid,  an edgeedge with one S(4)Ho5 square pyramid,  an edgeedge with one S(5)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(9)Ho5 square pyramid,  an edgeedge with one S(1)Ho5 trigonal bipyramid, edges with two equivalent S(11)Ho5 trigonal bipyramids,  a faceface with one S(10)Ho5Pb octahedra, and  a faceface with one S(14)Ho5 square pyramid. The corner-sharing octahedral tilt angles range from 21-49°. In the fourth S site, S(4) is bonded to one Ho(13), one Ho(2), one Ho(3), one Ho(7), and one Ho(8) atom to form distorted SHo5 square pyramids that share  a cornercorner with one S(2)Ho5Pb octahedra, corners with two equivalent S(10)Ho5Pb octahedra,  a cornercorner with one S(5)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids, corners with two equivalent S(3)Ho5 square pyramids, corners with two equivalent S(9)Ho5 square pyramids, corners with two equivalent S(1)Ho5 trigonal bipyramids,  an edgeedge with one S(10)Ho5Pb octahedra,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(9)Ho5 square pyramid,  an edgeedge with one S(11)Ho5 trigonal bipyramid,  a faceface with one S(21)Ho5Pb octahedra,  a faceface with one S(6)Ho5 square pyramid, and  a faceface with one S(11)Ho5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-46°. In the fifth S site, S(5) is bonded to one Ho(1), one Ho(14), one Ho(2), one Ho(4), and one Ho(9) atom to form distorted SHo5 square pyramids that share corners with two equivalent S(16)Ho5Pb octahedra, corners with two equivalent S(2)Ho5Pb octahedra,  a cornercorner with one S(4)Ho5 square pyramid,  a cornercorner with one S(6)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids,  a cornercorner with one S(11)Ho5 trigonal bipyramid, corners with two equivalent S(1)Ho5 trigonal bipyramids,  an edgeedge with one S(16)Ho5Pb octahedra,  an edgeedge with one S(14)Ho5 square pyramid,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(1)Ho5 trigonal bipyramid, and  a faceface with one S(2)Ho5Pb octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the sixth S site, S(6) is bonded to one Ho(2), one Ho(3), one Ho(4), one Ho(7), and one Ho(9) atom to form SHo5 square pyramids that share  a cornercorner with one S(21)Ho5Pb octahedra, corners with two equivalent S(10)Ho5Pb octahedra, corners with two equivalent S(16)Ho5Pb octahedra,  a cornercorner with one S(5)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids, corners with two equivalent S(3)Ho5 square pyramids,  a cornercorner with one S(11)Ho5 trigonal bipyramid,  an edgeedge with one S(14)Ho5 square pyramid,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(5)Ho5 square pyramid,  an edgeedge with one S(9)Ho5 square pyramid,  an edgeedge with one S(11)Ho5 trigonal bipyramid, edges with two equivalent S(1)Ho5 trigonal bipyramids,  a faceface with one S(2)Ho5Pb octahedra, and  a faceface with one S(4)Ho5 square pyramid. The corner-sharing octahedral tilt angles range from 21-49°. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(5), one Ho(6), one Ho(8), one Pb(1), and one Pb(3) atom. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(12), one Ho(5), one Ho(6), one Pb(1), and one Pb(3) atom. In the ninth S site, S(9) is bonded to one Ho(13), one Ho(3), one Ho(5), one Ho(7), and one Ho(8) atom to form distorted SHo5 square pyramids that share corners with two equivalent S(10)Ho5Pb octahedra, corners with two equivalent S(21)Ho5Pb octahedra,  a cornercorner with one S(14)Ho5 square pyramid,  a cornercorner with one S(3)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid, corners with two equivalent S(11)Ho5 trigonal bipyramids,  an edgeedge with one S(21)Ho5Pb octahedra,  an edgeedge with one S(3)Ho5 square pyramid,  an edgeedge with one S(4)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(11)Ho5 trigonal bipyramid, and  a faceface with one S(10)Ho5Pb octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the tenth S site, S(10) is bonded to one Ho(13), one Ho(3), one Ho(5), one Ho(7), one Ho(8), and one Pb(1) atom to form distorted SHo5Pb octahedra that share  a cornercorner with one S(21)Ho5Pb octahedra,  a cornercorner with one S(14)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids, corners with two equivalent S(6)Ho5 square pyramids, corners with two equivalent S(9)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid,  a cornercorner with one S(11)Ho5 trigonal bipyramid, edges with two equivalent S(21)Ho5Pb octahedra,  an edgeedge with one S(4)Ho5 square pyramid,  a faceface with one S(3)Ho5 square pyramid,  a faceface with one S(9)Ho5 square pyramid, and  a faceface with one S(11)Ho5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. In the eleventh S site, S(11) is bonded to one Ho(13), one Ho(2), one Ho(3), one Ho(7), and one Ho(8) atom to form distorted SHo5 trigonal bipyramids that share  a cornercorner with one S(10)Ho5Pb octahedra,  a cornercorner with one S(2)Ho5Pb octahedra,  a cornercorner with one S(21)Ho5Pb octahedra,  a cornercorner with one S(5)Ho5 square pyramid,  a cornercorner with one S(6)Ho5 square pyramid, corners with two equivalent S(14)Ho5 square pyramids, corners with two equivalent S(9)Ho5 square pyramids,  an edgeedge with one S(21)Ho5Pb octahedra,  an edgeedge with one S(4)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(9)Ho5 square pyramid, edges with two equivalent S(3)Ho5 square pyramids,  an edgeedge with one S(1)Ho5 trigonal bipyramid,  a faceface with one S(10)Ho5Pb octahedra, and  a faceface with one S(4)Ho5 square pyramid. The corner-sharing octahedral tilt angles range from 43-52°. In the twelfth S site, S(12) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(13), one Ho(5), one Ho(6), one Ho(8), and one Pb(1) atom. In the thirteenth S site, S(13) is bonded in a 6-coordinate geometry to one Ho(1), one Ho(10), one Ho(12), one Ho(14), one Pb(2), and one Pb(3) atom. In the fourteenth S site, S(14) is bonded to one Ho(1), one Ho(2), one Ho(4), one Ho(7), and one Ho(9) atom to form distorted SHo5 square pyramids that share  a cornercorner with one S(10)Ho5Pb octahedra, corners with two equivalent S(2)Ho5Pb octahedra,  a cornercorner with one S(9)Ho5 square pyramid, corners with two equivalent S(4)Ho5 square pyramids, corners with two equivalent S(5)Ho5 square pyramids, corners with two equivalent S(6)Ho5 square pyramids, corners with two equivalent S(11)Ho5 trigonal bipyramids,  an edgeedge with one S(2)Ho5Pb octahedra,  an edgeedge with one S(5)Ho5 square pyramid,  an edgeedge with one S(6)Ho5 square pyramid,  an edgeedge with one S(1)Ho5 trigonal bipyramid,  a faceface with one S(16)Ho5Pb octahedra,  a faceface with one S(3)Ho5 square pyramid, and  a faceface with one S(1)Ho5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-46°. In the fifteenth S site, S(15) is bonded in a 6-coordinate geometry to one Ho(1), one Ho(10), one Ho(12), one Ho(14), one Ho(9), and one Pb(2) atom. In the sixteenth S site, S(16) is bonded to one Ho(1), one Ho(10), one Ho(14), one Ho(4), one Ho(9), and one Pb(2) atom to form distorted SHo5Pb octahedra that share  a cornercorner with one S(2)Ho5Pb octahedra,  a cornercorner with one S(3)Ho5 square pyramid, corners with two equivalent S(5)Ho5 square pyramids, corners with two equivalent S(6)Ho5 square pyramids,  a cornercorner with one S(1)Ho5 trigonal bipyramid, edges with two equivalent S(2)Ho5Pb octahedra,  an edgeedge with one S(5)Ho5 square pyramid,  an edgeedge with one S(1)Ho5 trigonal bipyramid, and  a faceface with one S(14)Ho5 square pyramid. The corner-sharing octahedral tilt angles are 44°. In the seventeenth S site, S(17) is bonded in a 6-coordinate geometry to one Ho(10), one Ho(11), one Ho(12), one Ho(6), one Pb(1), and one Pb(3) atom. In the eighteenth S site, S(18) is bonded in a 6-coordinate geometry to one Ho(10), one Ho(11), one Ho(12), one Ho(6), one Pb(2), and one Pb(3) atom. In the nineteenth S site, S(19) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(13), one Ho(3), one Ho(5), one Ho(8), and one Pb(1) atom. In the twentieth S site, S(20) is bonded in a 6-coordinate geometry to one Ho(11), one Ho(12), one Ho(5), one Ho(6), one Pb(1), and one Pb(3) atom. In the twenty-first S site, S(21) is bonded to one Ho(11), one Ho(13), one Ho(3), one Ho(5), one Ho(8), and one Pb(1) atom to form distorted SHo5Pb octahedra that share  a cornercorner with one S(10)Ho5Pb octahedra,  a cornercorner with one S(6)Ho5 square pyramid, corners with two equivalent S(3)Ho5 square pyramids, corners with two equivalent S(9)Ho5 square pyramids,  a cornercorner with one S(11)Ho5 trigonal bipyramid, edges with two equivalent S(10)Ho5Pb octahedra,  an edgeedge with one S(9)Ho5 square pyramid,  an edgeedge with one S(11)Ho5 trigonal bipyramid, and  a faceface with one S(4)Ho5 square pyramid. The corner-sharing octahedral tilt angles are 44°. In the twenty-second S site, S(22) is bonded in a 6-coordinate geometry to one Ho(10), one Ho(12), one Ho(14), one Ho(6), one Pb(2), and one Pb(3) atom. In the twenty-third S site, S(23) is bonded in a 6-coordinate geometry to one Ho(1), one Ho(10), one Ho(14), one Ho(4), one Ho(9), and one Pb(2) atom. In the twenty-fourth S site, S(24) is bonded in a 6-coordinate geometry to one Ho(10), one Ho(12), one Ho(14), one Ho(6), one Pb(2), and one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho14(PbS8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.271
_cell_length_b   7.271
_cell_length_c   18.845
_cell_angle_alpha   75.025
_cell_angle_beta   75.025
_cell_angle_gamma   70.093
_symmetry_Int_Tables_number   1
_cell_volume   888.990
_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
  Ho  Ho0  1  0.789  0.287  0.802  1.0
  Ho  Ho1  1  0.818  0.823  0.961  1.0
  Ho  Ho2  1  0.130  0.614  0.121  1.0
  Ho  Ho3  1  0.386  0.870  0.879  1.0
  Ho  Ho4  1  0.162  0.164  0.287  1.0
  Ho  Ho5  1  0.457  0.957  0.462  1.0
  Ho  Ho6  1  0.177  0.182  0.039  1.0
  Ho  Ho7  1  0.707  0.206  0.195  1.0
  Ho  Ho8  1  0.202  0.454  0.836  1.0
  Ho  Ho9  1  0.496  0.491  0.627  1.0
  Ho  Ho10  1  0.509  0.504  0.373  1.0
  Ho  Ho11  1  0.043  0.543  0.538  1.0
  Ho  Ho12  1  0.546  0.798  0.164  1.0
  Ho  Ho13  1  0.836  0.838  0.713  1.0
  Pb  Pb14  1  0.961  0.709  0.330  1.0
  Pb  Pb15  1  0.291  0.039  0.670  1.0
  Pb  Pb16  1  0.878  0.122  0.500  1.0
  S  S17  1  0.040  0.158  0.914  1.0
  S  S18  1  0.037  0.900  0.802  1.0
  S  S19  1  0.415  0.795  0.036  1.0
  S  S20  1  0.839  0.480  0.081  1.0
  S  S21  1  0.765  0.621  0.864  1.0
  S  S22  1  0.205  0.585  0.964  1.0
  S  S23  1  0.746  0.122  0.364  1.0
  S  S24  1  0.187  0.801  0.417  1.0
  S  S25  1  0.379  0.235  0.136  1.0
  S  S26  1  0.100  0.963  0.198  1.0
  S  S27  1  0.842  0.960  0.086  1.0
  S  S28  1  0.536  0.908  0.290  1.0
  S  S29  1  0.878  0.254  0.636  1.0
  S  S30  1  0.520  0.161  0.919  1.0
  S  S31  1  0.092  0.464  0.710  1.0
  S  S32  1  0.506  0.138  0.754  1.0
  S  S33  1  0.700  0.578  0.466  1.0
  S  S34  1  0.422  0.300  0.534  1.0
  S  S35  1  0.376  0.495  0.243  1.0
  S  S36  1  0.186  0.303  0.411  1.0
  S  S37  1  0.862  0.494  0.246  1.0
  S  S38  1  0.697  0.814  0.589  1.0
  S  S39  1  0.505  0.624  0.757  1.0
  S  S40  1  0.199  0.813  0.583  1.0
[/CIF]
.