The structure described by Tm4CeS7 crystallizes in the monoclinic Cm space group. There are four inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(7), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms to form distorted TmS7 pentagonal bipyramids that share corners with two equivalent Tm(3)S6 octahedra, corners with two equivalent Tm(4)S6 octahedra, corners with four equivalent Ce(1)S6 octahedra,  an edgeedge with one Ce(1)S6 octahedra, edges with three equivalent Tm(4)S6 octahedra, edges with two equivalent Tm(2)S7 pentagonal bipyramids, and faces with two equivalent Tm(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-64°. In the second Tm site, Tm(2) is bonded to one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(7) atoms to form distorted TmS7 pentagonal bipyramids that share corners with two equivalent Tm(4)S6 octahedra, corners with two equivalent Ce(1)S6 octahedra, corners with four equivalent Tm(3)S6 octahedra,  an edgeedge with one Tm(3)S6 octahedra, edges with three equivalent Tm(4)S6 octahedra, edges with two equivalent Tm(1)S7 pentagonal bipyramids, and faces with two equivalent Tm(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-69°. In the third Tm site, Tm(3) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(5) atoms to form TmS6 octahedra that share  a cornercorner with one Tm(4)S6 octahedra, corners with two equivalent Ce(1)S6 octahedra, corners with two equivalent Tm(1)S7 pentagonal bipyramids, corners with four equivalent Tm(2)S7 pentagonal bipyramids, edges with two equivalent Tm(3)S6 octahedra, edges with three equivalent Ce(1)S6 octahedra, and  an edgeedge with one Tm(2)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-58°. In the fourth Tm site, Tm(4) is bonded to one S(3), one S(4), two equivalent S(6), and two equivalent S(7) atoms to form TmS6 octahedra that share  a cornercorner with one Tm(3)S6 octahedra,  a cornercorner with one Ce(1)S6 octahedra, corners with two equivalent Tm(1)S7 pentagonal bipyramids, corners with two equivalent Tm(2)S7 pentagonal bipyramids, edges with two equivalent Tm(4)S6 octahedra, edges with three equivalent Tm(1)S7 pentagonal bipyramids, and edges with three equivalent Tm(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 57-58°. Ce(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(5) atoms to form CeS6 octahedra that share  a cornercorner with one Tm(4)S6 octahedra, corners with two equivalent Tm(3)S6 octahedra, corners with two equivalent Tm(2)S7 pentagonal bipyramids, corners with four equivalent Tm(1)S7 pentagonal bipyramids, edges with two equivalent Ce(1)S6 octahedra, edges with three equivalent Tm(3)S6 octahedra, and  an edgeedge with one Tm(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-57°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tm(2), two equivalent Tm(3), and one Ce(1) atom to form SCeTm4 trigonal bipyramids that share  a cornercorner with one S(3)CeTm3 tetrahedra, corners with four equivalent S(4)Tm4 tetrahedra, corners with two equivalent S(6)Tm5 trigonal bipyramids, corners with two equivalent S(7)Tm5 trigonal bipyramids,  an edgeedge with one S(4)Tm4 tetrahedra,  an edgeedge with one S(7)Tm5 trigonal bipyramid, edges with two equivalent S(2)Ce2Tm3 trigonal bipyramids, and edges with two equivalent S(1)CeTm4 trigonal bipyramids. In the second S site, S(2) is bonded to one Tm(3), two equivalent Tm(1), and two equivalent Ce(1) atoms to form SCe2Tm3 trigonal bipyramids that share  a cornercorner with one S(4)Tm4 tetrahedra, corners with four equivalent S(3)CeTm3 tetrahedra, corners with two equivalent S(6)Tm5 trigonal bipyramids, corners with two equivalent S(7)Tm5 trigonal bipyramids,  an edgeedge with one S(3)CeTm3 tetrahedra,  an edgeedge with one S(6)Tm5 trigonal bipyramid, edges with two equivalent S(2)Ce2Tm3 trigonal bipyramids, and edges with two equivalent S(1)CeTm4 trigonal bipyramids. In the third S site, S(3) is bonded to one Tm(4), two equivalent Tm(1), and one Ce(1) atom to form SCeTm3 tetrahedra that share  a cornercorner with one S(4)Tm4 tetrahedra, corners with two equivalent S(3)CeTm3 tetrahedra,  a cornercorner with one S(1)CeTm4 trigonal bipyramid, corners with four equivalent S(2)Ce2Tm3 trigonal bipyramids, corners with four equivalent S(6)Tm5 trigonal bipyramids,  an edgeedge with one S(2)Ce2Tm3 trigonal bipyramid,  an edgeedge with one S(6)Tm5 trigonal bipyramid, and edges with two equivalent S(7)Tm5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Tm(3), one Tm(4), and two equivalent Tm(2) atoms to form distorted STm4 tetrahedra that share  a cornercorner with one S(3)CeTm3 tetrahedra, corners with two equivalent S(4)Tm4 tetrahedra,  a cornercorner with one S(2)Ce2Tm3 trigonal bipyramid, corners with four equivalent S(1)CeTm4 trigonal bipyramids, corners with four equivalent S(7)Tm5 trigonal bipyramids,  an edgeedge with one S(1)CeTm4 trigonal bipyramid,  an edgeedge with one S(7)Tm5 trigonal bipyramid, and edges with two equivalent S(6)Tm5 trigonal bipyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to two equivalent Tm(3) and two equivalent Ce(1) atoms. In the sixth S site, S(6) is bonded to one Tm(2), two equivalent Tm(1), and two equivalent Tm(4) atoms to form distorted STm5 trigonal bipyramids that share corners with four equivalent S(3)CeTm3 tetrahedra, corners with two equivalent S(2)Ce2Tm3 trigonal bipyramids, corners with two equivalent S(1)CeTm4 trigonal bipyramids, corners with two equivalent S(7)Tm5 trigonal bipyramids,  an edgeedge with one S(3)CeTm3 tetrahedra, edges with two equivalent S(4)Tm4 tetrahedra,  an edgeedge with one S(2)Ce2Tm3 trigonal bipyramid, edges with two equivalent S(6)Tm5 trigonal bipyramids, and edges with three equivalent S(7)Tm5 trigonal bipyramids. In the seventh S site, S(7) is bonded to one Tm(1), two equivalent Tm(2), and two equivalent Tm(4) atoms to form distorted STm5 trigonal bipyramids that share corners with four equivalent S(4)Tm4 tetrahedra, corners with two equivalent S(2)Ce2Tm3 trigonal bipyramids, corners with two equivalent S(1)CeTm4 trigonal bipyramids, corners with two equivalent S(6)Tm5 trigonal bipyramids,  an edgeedge with one S(4)Tm4 tetrahedra, edges with two equivalent S(3)CeTm3 tetrahedra,  an edgeedge with one S(1)CeTm4 trigonal bipyramid, edges with two equivalent S(7)Tm5 trigonal bipyramids, and edges with three equivalent S(6)Tm5 trigonal bipyramids. is represented by the CIF card [CIF]
data_CeTm4S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.723
_cell_length_b   6.723
_cell_length_c   11.632
_cell_angle_alpha   75.917
_cell_angle_beta   75.917
_cell_angle_gamma   32.756
_symmetry_Int_Tables_number   1
_cell_volume   275.155
_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
  Ce  Ce0  1  0.887  0.887  0.421  1.0
  Tm  Tm1  1  0.699  0.699  0.186  1.0
  Tm  Tm2  1  0.302  0.302  0.813  1.0
  Tm  Tm3  1  0.114  0.114  0.581  1.0
  Tm  Tm4  1  0.000  0.000  0.998  1.0
  S  S5  1  0.737  0.737  0.655  1.0
  S  S6  1  0.251  0.251  0.349  1.0
  S  S7  1  0.045  0.045  0.208  1.0
  S  S8  1  0.958  0.958  0.785  1.0
  S  S9  1  0.506  0.506  0.505  1.0
  S  S10  1  0.342  0.342  0.050  1.0
  S  S11  1  0.659  0.659  0.949  1.0
[/CIF]
.
The structure described by Tm4CeS7 crystallizes in the monoclinic Cm space group. There are four inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(7), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms to form distorted TmS7 pentagonal bipyramids that share corners with two equivalent Tm(3)S6 octahedra, corners with two equivalent Tm(4)S6 octahedra, corners with four equivalent Ce(1)S6 octahedra,  an edgeedge with one Ce(1)S6 octahedra, edges with three equivalent Tm(4)S6 octahedra, edges with two equivalent Tm(2)S7 pentagonal bipyramids, and faces with two equivalent Tm(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-64°. In the second Tm site, Tm(2) is bonded to one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(7) atoms to form distorted TmS7 pentagonal bipyramids that share corners with two equivalent Tm(4)S6 octahedra, corners with two equivalent Ce(1)S6 octahedra, corners with four equivalent Tm(3)S6 octahedra,  an edgeedge with one Tm(3)S6 octahedra, edges with three equivalent Tm(4)S6 octahedra, edges with two equivalent Tm(1)S7 pentagonal bipyramids, and faces with two equivalent Tm(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-69°. In the third Tm site, Tm(3) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(5) atoms to form TmS6 octahedra that share  a cornercorner with one Tm(4)S6 octahedra, corners with two equivalent Ce(1)S6 octahedra, corners with two equivalent Tm(1)S7 pentagonal bipyramids, corners with four equivalent Tm(2)S7 pentagonal bipyramids, edges with two equivalent Tm(3)S6 octahedra, edges with three equivalent Ce(1)S6 octahedra, and  an edgeedge with one Tm(2)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-58°. In the fourth Tm site, Tm(4) is bonded to one S(3), one S(4), two equivalent S(6), and two equivalent S(7) atoms to form TmS6 octahedra that share  a cornercorner with one Tm(3)S6 octahedra,  a cornercorner with one Ce(1)S6 octahedra, corners with two equivalent Tm(1)S7 pentagonal bipyramids, corners with two equivalent Tm(2)S7 pentagonal bipyramids, edges with two equivalent Tm(4)S6 octahedra, edges with three equivalent Tm(1)S7 pentagonal bipyramids, and edges with three equivalent Tm(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 57-58°. Ce(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(5) atoms to form CeS6 octahedra that share  a cornercorner with one Tm(4)S6 octahedra, corners with two equivalent Tm(3)S6 octahedra, corners with two equivalent Tm(2)S7 pentagonal bipyramids, corners with four equivalent Tm(1)S7 pentagonal bipyramids, edges with two equivalent Ce(1)S6 octahedra, edges with three equivalent Tm(3)S6 octahedra, and  an edgeedge with one Tm(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-57°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tm(2), two equivalent Tm(3), and one Ce(1) atom to form SCeTm4 trigonal bipyramids that share  a cornercorner with one S(3)CeTm3 tetrahedra, corners with four equivalent S(4)Tm4 tetrahedra, corners with two equivalent S(6)Tm5 trigonal bipyramids, corners with two equivalent S(7)Tm5 trigonal bipyramids,  an edgeedge with one S(4)Tm4 tetrahedra,  an edgeedge with one S(7)Tm5 trigonal bipyramid, edges with two equivalent S(2)Ce2Tm3 trigonal bipyramids, and edges with two equivalent S(1)CeTm4 trigonal bipyramids. In the second S site, S(2) is bonded to one Tm(3), two equivalent Tm(1), and two equivalent Ce(1) atoms to form SCe2Tm3 trigonal bipyramids that share  a cornercorner with one S(4)Tm4 tetrahedra, corners with four equivalent S(3)CeTm3 tetrahedra, corners with two equivalent S(6)Tm5 trigonal bipyramids, corners with two equivalent S(7)Tm5 trigonal bipyramids,  an edgeedge with one S(3)CeTm3 tetrahedra,  an edgeedge with one S(6)Tm5 trigonal bipyramid, edges with two equivalent S(2)Ce2Tm3 trigonal bipyramids, and edges with two equivalent S(1)CeTm4 trigonal bipyramids. In the third S site, S(3) is bonded to one Tm(4), two equivalent Tm(1), and one Ce(1) atom to form SCeTm3 tetrahedra that share  a cornercorner with one S(4)Tm4 tetrahedra, corners with two equivalent S(3)CeTm3 tetrahedra,  a cornercorner with one S(1)CeTm4 trigonal bipyramid, corners with four equivalent S(2)Ce2Tm3 trigonal bipyramids, corners with four equivalent S(6)Tm5 trigonal bipyramids,  an edgeedge with one S(2)Ce2Tm3 trigonal bipyramid,  an edgeedge with one S(6)Tm5 trigonal bipyramid, and edges with two equivalent S(7)Tm5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Tm(3), one Tm(4), and two equivalent Tm(2) atoms to form distorted STm4 tetrahedra that share  a cornercorner with one S(3)CeTm3 tetrahedra, corners with two equivalent S(4)Tm4 tetrahedra,  a cornercorner with one S(2)Ce2Tm3 trigonal bipyramid, corners with four equivalent S(1)CeTm4 trigonal bipyramids, corners with four equivalent S(7)Tm5 trigonal bipyramids,  an edgeedge with one S(1)CeTm4 trigonal bipyramid,  an edgeedge with one S(7)Tm5 trigonal bipyramid, and edges with two equivalent S(6)Tm5 trigonal bipyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to two equivalent Tm(3) and two equivalent Ce(1) atoms. In the sixth S site, S(6) is bonded to one Tm(2), two equivalent Tm(1), and two equivalent Tm(4) atoms to form distorted STm5 trigonal bipyramids that share corners with four equivalent S(3)CeTm3 tetrahedra, corners with two equivalent S(2)Ce2Tm3 trigonal bipyramids, corners with two equivalent S(1)CeTm4 trigonal bipyramids, corners with two equivalent S(7)Tm5 trigonal bipyramids,  an edgeedge with one S(3)CeTm3 tetrahedra, edges with two equivalent S(4)Tm4 tetrahedra,  an edgeedge with one S(2)Ce2Tm3 trigonal bipyramid, edges with two equivalent S(6)Tm5 trigonal bipyramids, and edges with three equivalent S(7)Tm5 trigonal bipyramids. In the seventh S site, S(7) is bonded to one Tm(1), two equivalent Tm(2), and two equivalent Tm(4) atoms to form distorted STm5 trigonal bipyramids that share corners with four equivalent S(4)Tm4 tetrahedra, corners with two equivalent S(2)Ce2Tm3 trigonal bipyramids, corners with two equivalent S(1)CeTm4 trigonal bipyramids, corners with two equivalent S(6)Tm5 trigonal bipyramids,  an edgeedge with one S(4)Tm4 tetrahedra, edges with two equivalent S(3)CeTm3 tetrahedra,  an edgeedge with one S(1)CeTm4 trigonal bipyramid, edges with two equivalent S(7)Tm5 trigonal bipyramids, and edges with three equivalent S(6)Tm5 trigonal bipyramids. is represented by the CIF card [CIF]
data_CeTm4S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.723
_cell_length_b   6.723
_cell_length_c   11.632
_cell_angle_alpha   75.917
_cell_angle_beta   75.917
_cell_angle_gamma   32.756
_symmetry_Int_Tables_number   1
_cell_volume   275.155
_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
  Ce  Ce0  1  0.887  0.887  0.421  1.0
  Tm  Tm1  1  0.699  0.699  0.186  1.0
  Tm  Tm2  1  0.302  0.302  0.813  1.0
  Tm  Tm3  1  0.114  0.114  0.581  1.0
  Tm  Tm4  1  0.000  0.000  0.998  1.0
  S  S5  1  0.737  0.737  0.655  1.0
  S  S6  1  0.251  0.251  0.349  1.0
  S  S7  1  0.045  0.045  0.208  1.0
  S  S8  1  0.958  0.958  0.785  1.0
  S  S9  1  0.506  0.506  0.505  1.0
  S  S10  1  0.342  0.342  0.050  1.0
  S  S11  1  0.659  0.659  0.949  1.0
[/CIF]
.