The material described by Tb12Ge5S28 crystallizes in the triclinic P1 space group. There are twelve inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one S(13), one S(17), one S(18), one S(2), one S(25), one S(27), one S(4), and one S(9) atom. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(14), one S(17), one S(18), one S(26), one S(28), and one S(3) atom. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one S(12), one S(13), one S(19), one S(20), one S(23), one S(28), one S(4), and one S(6) atom. In the fourth Tb site, Tb(4) is bonded in a 8-coordinate geometry to one S(11), one S(14), one S(19), one S(20), one S(24), one S(27), one S(3), and one S(5) atom. In the fifth Tb site, Tb(5) is bonded in a 8-coordinate geometry to one S(13), one S(2), one S(21), one S(22), one S(23), one S(26), one S(6), and one S(7) atom. In the sixth Tb site, Tb(6) is bonded in a 8-coordinate geometry to one S(1), one S(14), one S(21), one S(22), one S(24), one S(25), one S(5), and one S(8) atom. In the seventh Tb site, Tb(7) is bonded in a 8-coordinate geometry to one S(15), one S(19), one S(21), one S(23), one S(24), one S(3), one S(7), and one S(9) atom. In the eighth Tb site, Tb(8) is bonded in a 8-coordinate geometry to one S(10), one S(16), one S(20), one S(22), one S(23), one S(24), one S(4), and one S(8) atom. In the ninth Tb site, Tb(9) is bonded in a 8-coordinate geometry to one S(11), one S(15), one S(17), one S(22), one S(25), one S(26), one S(6), and one S(9) atom. In the tenth Tb site, Tb(10) is bonded in a 8-coordinate geometry to one S(10), one S(12), one S(16), one S(18), one S(21), one S(25), one S(26), and one S(5) atom. In the eleventh Tb site, Tb(11) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(15), one S(17), one S(20), one S(27), one S(28), and one S(7) atom. In the twelfth Tb site, Tb(12) is bonded in a 8-coordinate geometry to one S(12), one S(16), one S(18), one S(19), one S(2), one S(27), one S(28), and one S(8) atom. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(13), one S(3), and one S(5) atom. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(14), one S(2), one S(4), and one S(6) atom. In the third Ge site, Ge(3) is bonded in a tetrahedral geometry to one S(11), one S(16), one S(7), and one S(9) atom. In the fourth Ge site, Ge(4) is bonded in a tetrahedral geometry to one S(10), one S(12), one S(15), and one S(8) atom. In the fifth Ge site, Ge(5) is bonded in an octahedral geometry to one S(17), one S(20), one S(22), one S(24), one S(25), and one S(27) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Tb(11), one Tb(2), one Tb(6), and one Ge(1) atom. In the second S site, S(2) is bonded to one Tb(1), one Tb(12), one Tb(5), and one Ge(2) atom to form distorted STb3Ge trigonal pyramids that share  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid,  an edgeedge with one S(13)Tb3Ge tetrahedra,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid, and  an edgeedge with one S(18)Tb4 trigonal pyramid. In the third S site, S(3) is bonded to one Tb(2), one Tb(4), one Tb(7), and one Ge(1) atom to form distorted STb3Ge trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid,  an edgeedge with one S(14)Tb3Ge tetrahedra,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid, and  an edgeedge with one S(19)Tb4 trigonal pyramid. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Tb(1), one Tb(3), one Tb(8), and one Ge(2) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Tb(10), one Tb(4), one Tb(6), and one Ge(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Tb(3), one Tb(5), one Tb(9), and one Ge(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Tb(11), one Tb(5), one Tb(7), and one Ge(3) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Tb(12), one Tb(6), one Tb(8), and one Ge(4) atom. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one Tb(1), one Tb(7), one Tb(9), and one Ge(3) atom. In the tenth S site, S(10) is bonded in a distorted rectangular see-saw-like geometry to one Tb(10), one Tb(2), one Tb(8), and one Ge(4) atom. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Tb(11), one Tb(4), one Tb(9), and one Ge(3) atom. In the twelfth S site, S(12) is bonded in a distorted rectangular see-saw-like geometry to one Tb(10), one Tb(12), one Tb(3), and one Ge(4) atom. In the thirteenth S site, S(13) is bonded to one Tb(1), one Tb(3), one Tb(5), and one Ge(1) atom to form STb3Ge tetrahedra that share  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid, corners with two equivalent S(23)Tb4 trigonal pyramids, and  an edgeedge with one S(2)Tb3Ge trigonal pyramid. In the fourteenth S site, S(14) is bonded to one Tb(2), one Tb(4), one Tb(6), and one Ge(2) atom to form STb3Ge tetrahedra that share  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid, corners with two equivalent S(24)Tb4Ge trigonal bipyramids,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid, and  an edgeedge with one S(3)Tb3Ge trigonal pyramid. In the fifteenth S site, S(15) is bonded to one Tb(11), one Tb(7), one Tb(9), and one Ge(4) atom to form STb3Ge tetrahedra that share  a cornercorner with one S(24)Tb4Ge trigonal bipyramid,  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid, and  a cornercorner with one S(28)Tb4 trigonal pyramid. In the sixteenth S site, S(16) is bonded to one Tb(10), one Tb(12), one Tb(8), and one Ge(3) atom to form STb3Ge tetrahedra that share  a cornercorner with one S(24)Tb4Ge trigonal bipyramid,  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid, and corners with two equivalent S(18)Tb4 trigonal pyramids. In the seventeenth S site, S(17) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(11), one Tb(2), one Tb(9), and one Ge(5) atom. In the eighteenth S site, S(18) is bonded to one Tb(1), one Tb(10), one Tb(12), and one Tb(2) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra, corners with two equivalent S(16)Tb3Ge tetrahedra,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  an edgeedge with one S(25)Tb4Ge trigonal bipyramid,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid,  an edgeedge with one S(2)Tb3Ge trigonal pyramid,  an edgeedge with one S(26)Tb4 trigonal pyramid, and  an edgeedge with one S(28)Tb4 trigonal pyramid. In the nineteenth S site, S(19) is bonded to one Tb(12), one Tb(3), one Tb(4), and one Tb(7) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid,  an edgeedge with one S(3)Tb3Ge trigonal pyramid,  an edgeedge with one S(23)Tb4 trigonal pyramid, and  an edgeedge with one S(28)Tb4 trigonal pyramid. In the twentieth S site, S(20) is bonded in a 5-coordinate geometry to one Tb(11), one Tb(3), one Tb(4), one Tb(8), and one Ge(5) atom. In the twenty-first S site, S(21) is bonded to one Tb(10), one Tb(5), one Tb(6), and one Tb(7) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid,  an edgeedge with one S(25)Tb4Ge trigonal bipyramid,  an edgeedge with one S(23)Tb4 trigonal pyramid, and  an edgeedge with one S(26)Tb4 trigonal pyramid. In the twenty-second S site, S(22) is bonded in a 5-coordinate geometry to one Tb(5), one Tb(6), one Tb(8), one Tb(9), and one Ge(5) atom. In the twenty-third S site, S(23) is bonded to one Tb(3), one Tb(5), one Tb(7), and one Tb(8) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra, corners with two equivalent S(13)Tb3Ge tetrahedra, corners with two equivalent S(24)Tb4Ge trigonal bipyramids,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid,  an edgeedge with one S(19)Tb4 trigonal pyramid, and  an edgeedge with one S(21)Tb4 trigonal pyramid. In the twenty-fourth S site, S(24) is bonded to one Tb(4), one Tb(6), one Tb(7), one Tb(8), and one Ge(5) atom to form distorted STb4Ge trigonal bipyramids that share  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra, corners with two equivalent S(14)Tb3Ge tetrahedra, corners with two equivalent S(23)Tb4 trigonal pyramids,  an edgeedge with one S(25)Tb4Ge trigonal bipyramid,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid,  an edgeedge with one S(3)Tb3Ge trigonal pyramid,  an edgeedge with one S(19)Tb4 trigonal pyramid, and  an edgeedge with one S(21)Tb4 trigonal pyramid. In the twenty-fifth S site, S(25) is bonded to one Tb(1), one Tb(10), one Tb(6), one Tb(9), and one Ge(5) atom to form distorted STb4Ge trigonal bipyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(2)Tb3Ge trigonal pyramid, corners with two equivalent S(26)Tb4 trigonal pyramids,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid,  an edgeedge with one S(18)Tb4 trigonal pyramid, and  an edgeedge with one S(21)Tb4 trigonal pyramid. In the twenty-sixth S site, S(26) is bonded to one Tb(10), one Tb(2), one Tb(5), and one Tb(9) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra, corners with two equivalent S(25)Tb4Ge trigonal bipyramids,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid,  an edgeedge with one S(18)Tb4 trigonal pyramid, and  an edgeedge with one S(21)Tb4 trigonal pyramid. In the twenty-seventh S site, S(27) is bonded to one Tb(1), one Tb(11), one Tb(12), one Tb(4), and one Ge(5) atom to form distorted STb4Ge trigonal bipyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(3)Tb3Ge trigonal pyramid, corners with two equivalent S(28)Tb4 trigonal pyramids,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid,  an edgeedge with one S(25)Tb4Ge trigonal bipyramid,  an edgeedge with one S(2)Tb3Ge trigonal pyramid,  an edgeedge with one S(18)Tb4 trigonal pyramid, and  an edgeedge with one S(19)Tb4 trigonal pyramid. In the twenty-eighth S site, S(28) is bonded to one Tb(11), one Tb(12), one Tb(2), and one Tb(3) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra, corners with two equivalent S(27)Tb4Ge trigonal bipyramids,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  an edgeedge with one S(18)Tb4 trigonal pyramid, and  an edgeedge with one S(19)Tb4 trigonal pyramid. is represented by the CIF card [CIF]
data_Tb12Ge5S28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.914
_cell_length_b   11.449
_cell_length_c   11.454
_cell_angle_alpha   96.944
_cell_angle_beta   115.640
_cell_angle_gamma   115.650
_symmetry_Int_Tables_number   1
_cell_volume   977.706
_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
  Tb  Tb0  1  0.062  0.933  0.297  1.0
  Tb  Tb1  1  0.587  0.462  0.809  1.0
  Tb  Tb2  1  0.921  0.698  0.573  1.0
  Tb  Tb3  1  0.414  0.181  0.051  1.0
  Tb  Tb4  1  0.399  0.746  0.525  1.0
  Tb  Tb5  1  0.871  0.234  0.997  1.0
  Tb  Tb6  1  0.916  0.037  0.693  1.0
  Tb  Tb7  1  0.430  0.566  0.199  1.0
  Tb  Tb8  1  0.082  0.316  0.449  1.0
  Tb  Tb9  1  0.582  0.804  0.926  1.0
  Tb  Tb10  1  0.631  0.266  0.497  1.0
  Tb  Tb11  1  0.100  0.754  0.978  1.0
  Ge  Ge12  1  0.411  0.080  0.746  1.0
  Ge  Ge13  1  0.916  0.580  0.248  1.0
  Ge  Ge14  1  0.665  0.998  0.332  1.0
  Ge  Ge15  1  0.166  0.500  0.832  1.0
  Ge  Ge16  1  0.237  0.237  0.237  1.0
  S  S17  1  0.646  0.242  0.749  1.0
  S  S18  1  0.162  0.733  0.258  1.0
  S  S19  1  0.304  0.209  0.782  1.0
  S  S20  1  0.802  0.698  0.293  1.0
  S  S21  1  0.531  0.044  0.945  1.0
  S  S22  1  0.027  0.546  0.447  1.0
  S  S23  1  0.586  0.006  0.487  1.0
  S  S24  1  0.088  0.505  0.989  1.0
  S  S25  1  0.940  0.039  0.455  1.0
  S  S26  1  0.438  0.537  0.957  1.0
  S  S27  1  0.714  0.197  0.297  1.0
  S  S28  1  0.215  0.698  0.797  1.0
  S  S29  1  0.224  0.890  0.557  1.0
  S  S30  1  0.723  0.390  0.056  1.0
  S  S31  1  0.976  0.303  0.649  1.0
  S  S32  1  0.474  0.814  0.136  1.0
  S  S33  1  0.317  0.229  0.466  1.0
  S  S34  1  0.832  0.737  1.000  1.0
  S  S35  1  0.082  0.915  0.821  1.0
  S  S36  1  0.540  0.393  0.303  1.0
  S  S37  1  0.691  0.951  0.783  1.0
  S  S38  1  0.184  0.423  0.274  1.0
  S  S39  1  0.649  0.744  0.483  1.0
  S  S40  1  0.159  0.245  0.002  1.0
  S  S41  1  0.924  0.081  0.166  1.0
  S  S42  1  0.401  0.566  0.661  1.0
  S  S43  1  0.287  0.044  0.202  1.0
  S  S44  1  0.792  0.532  0.696  1.0
[/CIF]
.
The material described by Tb12Ge5S28 crystallizes in the triclinic P1 space group. There are twelve inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one S(13), one S(17), one S(18), one S(2), one S(25), one S(27), one S(4), and one S(9) atom. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(14), one S(17), one S(18), one S(26), one S(28), and one S(3) atom. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one S(12), one S(13), one S(19), one S(20), one S(23), one S(28), one S(4), and one S(6) atom. In the fourth Tb site, Tb(4) is bonded in a 8-coordinate geometry to one S(11), one S(14), one S(19), one S(20), one S(24), one S(27), one S(3), and one S(5) atom. In the fifth Tb site, Tb(5) is bonded in a 8-coordinate geometry to one S(13), one S(2), one S(21), one S(22), one S(23), one S(26), one S(6), and one S(7) atom. In the sixth Tb site, Tb(6) is bonded in a 8-coordinate geometry to one S(1), one S(14), one S(21), one S(22), one S(24), one S(25), one S(5), and one S(8) atom. In the seventh Tb site, Tb(7) is bonded in a 8-coordinate geometry to one S(15), one S(19), one S(21), one S(23), one S(24), one S(3), one S(7), and one S(9) atom. In the eighth Tb site, Tb(8) is bonded in a 8-coordinate geometry to one S(10), one S(16), one S(20), one S(22), one S(23), one S(24), one S(4), and one S(8) atom. In the ninth Tb site, Tb(9) is bonded in a 8-coordinate geometry to one S(11), one S(15), one S(17), one S(22), one S(25), one S(26), one S(6), and one S(9) atom. In the tenth Tb site, Tb(10) is bonded in a 8-coordinate geometry to one S(10), one S(12), one S(16), one S(18), one S(21), one S(25), one S(26), and one S(5) atom. In the eleventh Tb site, Tb(11) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(15), one S(17), one S(20), one S(27), one S(28), and one S(7) atom. In the twelfth Tb site, Tb(12) is bonded in a 8-coordinate geometry to one S(12), one S(16), one S(18), one S(19), one S(2), one S(27), one S(28), and one S(8) atom. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(13), one S(3), and one S(5) atom. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(14), one S(2), one S(4), and one S(6) atom. In the third Ge site, Ge(3) is bonded in a tetrahedral geometry to one S(11), one S(16), one S(7), and one S(9) atom. In the fourth Ge site, Ge(4) is bonded in a tetrahedral geometry to one S(10), one S(12), one S(15), and one S(8) atom. In the fifth Ge site, Ge(5) is bonded in an octahedral geometry to one S(17), one S(20), one S(22), one S(24), one S(25), and one S(27) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Tb(11), one Tb(2), one Tb(6), and one Ge(1) atom. In the second S site, S(2) is bonded to one Tb(1), one Tb(12), one Tb(5), and one Ge(2) atom to form distorted STb3Ge trigonal pyramids that share  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid,  an edgeedge with one S(13)Tb3Ge tetrahedra,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid, and  an edgeedge with one S(18)Tb4 trigonal pyramid. In the third S site, S(3) is bonded to one Tb(2), one Tb(4), one Tb(7), and one Ge(1) atom to form distorted STb3Ge trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid,  an edgeedge with one S(14)Tb3Ge tetrahedra,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid, and  an edgeedge with one S(19)Tb4 trigonal pyramid. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Tb(1), one Tb(3), one Tb(8), and one Ge(2) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Tb(10), one Tb(4), one Tb(6), and one Ge(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Tb(3), one Tb(5), one Tb(9), and one Ge(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Tb(11), one Tb(5), one Tb(7), and one Ge(3) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Tb(12), one Tb(6), one Tb(8), and one Ge(4) atom. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one Tb(1), one Tb(7), one Tb(9), and one Ge(3) atom. In the tenth S site, S(10) is bonded in a distorted rectangular see-saw-like geometry to one Tb(10), one Tb(2), one Tb(8), and one Ge(4) atom. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Tb(11), one Tb(4), one Tb(9), and one Ge(3) atom. In the twelfth S site, S(12) is bonded in a distorted rectangular see-saw-like geometry to one Tb(10), one Tb(12), one Tb(3), and one Ge(4) atom. In the thirteenth S site, S(13) is bonded to one Tb(1), one Tb(3), one Tb(5), and one Ge(1) atom to form STb3Ge tetrahedra that share  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid, corners with two equivalent S(23)Tb4 trigonal pyramids, and  an edgeedge with one S(2)Tb3Ge trigonal pyramid. In the fourteenth S site, S(14) is bonded to one Tb(2), one Tb(4), one Tb(6), and one Ge(2) atom to form STb3Ge tetrahedra that share  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid, corners with two equivalent S(24)Tb4Ge trigonal bipyramids,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid, and  an edgeedge with one S(3)Tb3Ge trigonal pyramid. In the fifteenth S site, S(15) is bonded to one Tb(11), one Tb(7), one Tb(9), and one Ge(4) atom to form STb3Ge tetrahedra that share  a cornercorner with one S(24)Tb4Ge trigonal bipyramid,  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid, and  a cornercorner with one S(28)Tb4 trigonal pyramid. In the sixteenth S site, S(16) is bonded to one Tb(10), one Tb(12), one Tb(8), and one Ge(3) atom to form STb3Ge tetrahedra that share  a cornercorner with one S(24)Tb4Ge trigonal bipyramid,  a cornercorner with one S(25)Tb4Ge trigonal bipyramid,  a cornercorner with one S(27)Tb4Ge trigonal bipyramid,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid, and corners with two equivalent S(18)Tb4 trigonal pyramids. In the seventeenth S site, S(17) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(11), one Tb(2), one Tb(9), and one Ge(5) atom. In the eighteenth S site, S(18) is bonded to one Tb(1), one Tb(10), one Tb(12), and one Tb(2) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra, corners with two equivalent S(16)Tb3Ge tetrahedra,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  an edgeedge with one S(25)Tb4Ge trigonal bipyramid,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid,  an edgeedge with one S(2)Tb3Ge trigonal pyramid,  an edgeedge with one S(26)Tb4 trigonal pyramid, and  an edgeedge with one S(28)Tb4 trigonal pyramid. In the nineteenth S site, S(19) is bonded to one Tb(12), one Tb(3), one Tb(4), and one Tb(7) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(21)Tb4 trigonal pyramid,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid,  an edgeedge with one S(3)Tb3Ge trigonal pyramid,  an edgeedge with one S(23)Tb4 trigonal pyramid, and  an edgeedge with one S(28)Tb4 trigonal pyramid. In the twentieth S site, S(20) is bonded in a 5-coordinate geometry to one Tb(11), one Tb(3), one Tb(4), one Tb(8), and one Ge(5) atom. In the twenty-first S site, S(21) is bonded to one Tb(10), one Tb(5), one Tb(6), and one Tb(7) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(18)Tb4 trigonal pyramid,  a cornercorner with one S(19)Tb4 trigonal pyramid,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid,  an edgeedge with one S(25)Tb4Ge trigonal bipyramid,  an edgeedge with one S(23)Tb4 trigonal pyramid, and  an edgeedge with one S(26)Tb4 trigonal pyramid. In the twenty-second S site, S(22) is bonded in a 5-coordinate geometry to one Tb(5), one Tb(6), one Tb(8), one Tb(9), and one Ge(5) atom. In the twenty-third S site, S(23) is bonded to one Tb(3), one Tb(5), one Tb(7), and one Tb(8) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra, corners with two equivalent S(13)Tb3Ge tetrahedra, corners with two equivalent S(24)Tb4Ge trigonal bipyramids,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid,  an edgeedge with one S(19)Tb4 trigonal pyramid, and  an edgeedge with one S(21)Tb4 trigonal pyramid. In the twenty-fourth S site, S(24) is bonded to one Tb(4), one Tb(6), one Tb(7), one Tb(8), and one Ge(5) atom to form distorted STb4Ge trigonal bipyramids that share  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra, corners with two equivalent S(14)Tb3Ge tetrahedra, corners with two equivalent S(23)Tb4 trigonal pyramids,  an edgeedge with one S(25)Tb4Ge trigonal bipyramid,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid,  an edgeedge with one S(3)Tb3Ge trigonal pyramid,  an edgeedge with one S(19)Tb4 trigonal pyramid, and  an edgeedge with one S(21)Tb4 trigonal pyramid. In the twenty-fifth S site, S(25) is bonded to one Tb(1), one Tb(10), one Tb(6), one Tb(9), and one Ge(5) atom to form distorted STb4Ge trigonal bipyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(2)Tb3Ge trigonal pyramid, corners with two equivalent S(26)Tb4 trigonal pyramids,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid,  an edgeedge with one S(27)Tb4Ge trigonal bipyramid,  an edgeedge with one S(18)Tb4 trigonal pyramid, and  an edgeedge with one S(21)Tb4 trigonal pyramid. In the twenty-sixth S site, S(26) is bonded to one Tb(10), one Tb(2), one Tb(5), and one Tb(9) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra, corners with two equivalent S(25)Tb4Ge trigonal bipyramids,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(28)Tb4 trigonal pyramid,  an edgeedge with one S(18)Tb4 trigonal pyramid, and  an edgeedge with one S(21)Tb4 trigonal pyramid. In the twenty-seventh S site, S(27) is bonded to one Tb(1), one Tb(11), one Tb(12), one Tb(4), and one Ge(5) atom to form distorted STb4Ge trigonal bipyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra,  a cornercorner with one S(3)Tb3Ge trigonal pyramid, corners with two equivalent S(28)Tb4 trigonal pyramids,  an edgeedge with one S(24)Tb4Ge trigonal bipyramid,  an edgeedge with one S(25)Tb4Ge trigonal bipyramid,  an edgeedge with one S(2)Tb3Ge trigonal pyramid,  an edgeedge with one S(18)Tb4 trigonal pyramid, and  an edgeedge with one S(19)Tb4 trigonal pyramid. In the twenty-eighth S site, S(28) is bonded to one Tb(11), one Tb(12), one Tb(2), and one Tb(3) atom to form distorted STb4 trigonal pyramids that share  a cornercorner with one S(13)Tb3Ge tetrahedra,  a cornercorner with one S(14)Tb3Ge tetrahedra,  a cornercorner with one S(15)Tb3Ge tetrahedra,  a cornercorner with one S(16)Tb3Ge tetrahedra, corners with two equivalent S(27)Tb4Ge trigonal bipyramids,  a cornercorner with one S(2)Tb3Ge trigonal pyramid,  a cornercorner with one S(3)Tb3Ge trigonal pyramid,  a cornercorner with one S(23)Tb4 trigonal pyramid,  a cornercorner with one S(26)Tb4 trigonal pyramid,  an edgeedge with one S(18)Tb4 trigonal pyramid, and  an edgeedge with one S(19)Tb4 trigonal pyramid. is represented by the CIF card [CIF]
data_Tb12Ge5S28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.914
_cell_length_b   11.449
_cell_length_c   11.454
_cell_angle_alpha   96.944
_cell_angle_beta   115.640
_cell_angle_gamma   115.650
_symmetry_Int_Tables_number   1
_cell_volume   977.706
_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
  Tb  Tb0  1  0.062  0.933  0.297  1.0
  Tb  Tb1  1  0.587  0.462  0.809  1.0
  Tb  Tb2  1  0.921  0.698  0.573  1.0
  Tb  Tb3  1  0.414  0.181  0.051  1.0
  Tb  Tb4  1  0.399  0.746  0.525  1.0
  Tb  Tb5  1  0.871  0.234  0.997  1.0
  Tb  Tb6  1  0.916  0.037  0.693  1.0
  Tb  Tb7  1  0.430  0.566  0.199  1.0
  Tb  Tb8  1  0.082  0.316  0.449  1.0
  Tb  Tb9  1  0.582  0.804  0.926  1.0
  Tb  Tb10  1  0.631  0.266  0.497  1.0
  Tb  Tb11  1  0.100  0.754  0.978  1.0
  Ge  Ge12  1  0.411  0.080  0.746  1.0
  Ge  Ge13  1  0.916  0.580  0.248  1.0
  Ge  Ge14  1  0.665  0.998  0.332  1.0
  Ge  Ge15  1  0.166  0.500  0.832  1.0
  Ge  Ge16  1  0.237  0.237  0.237  1.0
  S  S17  1  0.646  0.242  0.749  1.0
  S  S18  1  0.162  0.733  0.258  1.0
  S  S19  1  0.304  0.209  0.782  1.0
  S  S20  1  0.802  0.698  0.293  1.0
  S  S21  1  0.531  0.044  0.945  1.0
  S  S22  1  0.027  0.546  0.447  1.0
  S  S23  1  0.586  0.006  0.487  1.0
  S  S24  1  0.088  0.505  0.989  1.0
  S  S25  1  0.940  0.039  0.455  1.0
  S  S26  1  0.438  0.537  0.957  1.0
  S  S27  1  0.714  0.197  0.297  1.0
  S  S28  1  0.215  0.698  0.797  1.0
  S  S29  1  0.224  0.890  0.557  1.0
  S  S30  1  0.723  0.390  0.056  1.0
  S  S31  1  0.976  0.303  0.649  1.0
  S  S32  1  0.474  0.814  0.136  1.0
  S  S33  1  0.317  0.229  0.466  1.0
  S  S34  1  0.832  0.737  1.000  1.0
  S  S35  1  0.082  0.915  0.821  1.0
  S  S36  1  0.540  0.393  0.303  1.0
  S  S37  1  0.691  0.951  0.783  1.0
  S  S38  1  0.184  0.423  0.274  1.0
  S  S39  1  0.649  0.744  0.483  1.0
  S  S40  1  0.159  0.245  0.002  1.0
  S  S41  1  0.924  0.081  0.166  1.0
  S  S42  1  0.401  0.566  0.661  1.0
  S  S43  1  0.287  0.044  0.202  1.0
  S  S44  1  0.792  0.532  0.696  1.0
[/CIF]
.