The material described by Tm4CdSe7 crystallizes in the monoclinic Cm space group. There are four inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 7-coordinate geometry to one Se(4), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(5) atoms. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one Se(3), two equivalent Se(1), two equivalent Se(4), and two equivalent Se(6) atoms. In the third Tm site, Tm(3) is bonded to one Se(5), one Se(6), two equivalent Se(3), and two equivalent Se(4) atoms to form TmSe6 octahedra that share  a cornercorner with one Tm(4)Se6 octahedra,  a cornercorner with one Cd(1)Se6 octahedra, and edges with two equivalent Tm(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the fourth Tm site, Tm(4) is bonded to one Se(2), one Se(6), two equivalent Se(1), and two equivalent Se(7) atoms to form TmSe6 octahedra that share  a cornercorner with one Tm(3)Se6 octahedra, corners with two equivalent Cd(1)Se6 octahedra, edges with two equivalent Tm(4)Se6 octahedra, and edges with three equivalent Cd(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-54°. Cd(1) is bonded to one Se(1), one Se(5), two equivalent Se(2), and two equivalent Se(7) atoms to form CdSe6 octahedra that share  a cornercorner with one Tm(3)Se6 octahedra, corners with two equivalent Tm(4)Se6 octahedra, edges with two equivalent Cd(1)Se6 octahedra, and edges with three equivalent Tm(4)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-56°. There are seven inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Tm(2), two equivalent Tm(4), and one Cd(1) atom to form SeTm4Cd trigonal bipyramids that share  a cornercorner with one Se(5)Tm3Cd tetrahedra, corners with four equivalent Se(6)Tm4 tetrahedra, corners with two equivalent Se(3)Tm5 trigonal bipyramids, corners with two equivalent Se(4)Tm5 trigonal bipyramids,  an edgeedge with one Se(6)Tm4 tetrahedra,  an edgeedge with one Se(4)Tm5 trigonal bipyramid, edges with two equivalent Se(2)Tm3Cd2 trigonal bipyramids, and edges with two equivalent Se(1)Tm4Cd trigonal bipyramids. In the second Se site, Se(2) is bonded to one Tm(4), two equivalent Tm(1), and two equivalent Cd(1) atoms to form SeTm3Cd2 trigonal bipyramids that share  a cornercorner with one Se(6)Tm4 tetrahedra, corners with four equivalent Se(5)Tm3Cd tetrahedra, corners with two equivalent Se(3)Tm5 trigonal bipyramids, corners with two equivalent Se(4)Tm5 trigonal bipyramids,  an edgeedge with one Se(5)Tm3Cd tetrahedra,  an edgeedge with one Se(3)Tm5 trigonal bipyramid, edges with two equivalent Se(2)Tm3Cd2 trigonal bipyramids, and edges with two equivalent Se(1)Tm4Cd trigonal bipyramids. In the third Se site, Se(3) is bonded to one Tm(2), two equivalent Tm(1), and two equivalent Tm(3) atoms to form distorted SeTm5 trigonal bipyramids that share corners with four equivalent Se(5)Tm3Cd tetrahedra, corners with two equivalent Se(2)Tm3Cd2 trigonal bipyramids, corners with two equivalent Se(1)Tm4Cd trigonal bipyramids, corners with two equivalent Se(4)Tm5 trigonal bipyramids,  an edgeedge with one Se(5)Tm3Cd tetrahedra, edges with two equivalent Se(6)Tm4 tetrahedra,  an edgeedge with one Se(2)Tm3Cd2 trigonal bipyramid, edges with two equivalent Se(3)Tm5 trigonal bipyramids, and edges with three equivalent Se(4)Tm5 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to one Tm(1), two equivalent Tm(2), and two equivalent Tm(3) atoms to form distorted SeTm5 trigonal bipyramids that share corners with four equivalent Se(6)Tm4 tetrahedra, corners with two equivalent Se(2)Tm3Cd2 trigonal bipyramids, corners with two equivalent Se(1)Tm4Cd trigonal bipyramids, corners with two equivalent Se(3)Tm5 trigonal bipyramids,  an edgeedge with one Se(6)Tm4 tetrahedra, edges with two equivalent Se(5)Tm3Cd tetrahedra,  an edgeedge with one Se(1)Tm4Cd trigonal bipyramid, edges with two equivalent Se(4)Tm5 trigonal bipyramids, and edges with three equivalent Se(3)Tm5 trigonal bipyramids. In the fifth Se site, Se(5) is bonded to one Tm(3), two equivalent Tm(1), and one Cd(1) atom to form distorted SeTm3Cd tetrahedra that share  a cornercorner with one Se(6)Tm4 tetrahedra, corners with two equivalent Se(5)Tm3Cd tetrahedra,  a cornercorner with one Se(1)Tm4Cd trigonal bipyramid, corners with four equivalent Se(2)Tm3Cd2 trigonal bipyramids, corners with four equivalent Se(3)Tm5 trigonal bipyramids,  an edgeedge with one Se(2)Tm3Cd2 trigonal bipyramid,  an edgeedge with one Se(3)Tm5 trigonal bipyramid, and edges with two equivalent Se(4)Tm5 trigonal bipyramids. In the sixth Se site, Se(6) is bonded to one Tm(3), one Tm(4), and two equivalent Tm(2) atoms to form SeTm4 tetrahedra that share  a cornercorner with one Se(5)Tm3Cd tetrahedra, corners with two equivalent Se(6)Tm4 tetrahedra,  a cornercorner with one Se(2)Tm3Cd2 trigonal bipyramid, corners with four equivalent Se(1)Tm4Cd trigonal bipyramids, corners with four equivalent Se(4)Tm5 trigonal bipyramids,  an edgeedge with one Se(1)Tm4Cd trigonal bipyramid,  an edgeedge with one Se(4)Tm5 trigonal bipyramid, and edges with two equivalent Se(3)Tm5 trigonal bipyramids. In the seventh Se site, Se(7) is bonded in a rectangular see-saw-like geometry to two equivalent Tm(4) and two equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm4CdSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.888
_cell_length_b   6.888
_cell_length_c   12.065
_cell_angle_alpha   75.848
_cell_angle_beta   75.848
_cell_angle_gamma   33.335
_symmetry_Int_Tables_number   1
_cell_volume   304.147
_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
  Tm  Tm0  1  0.695  0.695  0.198  1.0
  Tm  Tm1  1  0.306  0.306  0.805  1.0
  Tm  Tm2  1  0.000  0.000  0.002  1.0
  Tm  Tm3  1  0.115  0.115  0.572  1.0
  Cd  Cd4  1  0.884  0.884  0.421  1.0
  Se  Se5  1  0.742  0.742  0.648  1.0
  Se  Se6  1  0.256  0.256  0.351  1.0
  Se  Se7  1  0.340  0.340  0.049  1.0
  Se  Se8  1  0.660  0.660  0.949  1.0
  Se  Se9  1  0.039  0.039  0.217  1.0
  Se  Se10  1  0.961  0.961  0.785  1.0
  Se  Se11  1  0.501  0.501  0.503  1.0
[/CIF]
.
The material described by Tm4CdSe7 crystallizes in the monoclinic Cm space group. There are four inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 7-coordinate geometry to one Se(4), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(5) atoms. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one Se(3), two equivalent Se(1), two equivalent Se(4), and two equivalent Se(6) atoms. In the third Tm site, Tm(3) is bonded to one Se(5), one Se(6), two equivalent Se(3), and two equivalent Se(4) atoms to form TmSe6 octahedra that share  a cornercorner with one Tm(4)Se6 octahedra,  a cornercorner with one Cd(1)Se6 octahedra, and edges with two equivalent Tm(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the fourth Tm site, Tm(4) is bonded to one Se(2), one Se(6), two equivalent Se(1), and two equivalent Se(7) atoms to form TmSe6 octahedra that share  a cornercorner with one Tm(3)Se6 octahedra, corners with two equivalent Cd(1)Se6 octahedra, edges with two equivalent Tm(4)Se6 octahedra, and edges with three equivalent Cd(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-54°. Cd(1) is bonded to one Se(1), one Se(5), two equivalent Se(2), and two equivalent Se(7) atoms to form CdSe6 octahedra that share  a cornercorner with one Tm(3)Se6 octahedra, corners with two equivalent Tm(4)Se6 octahedra, edges with two equivalent Cd(1)Se6 octahedra, and edges with three equivalent Tm(4)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-56°. There are seven inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Tm(2), two equivalent Tm(4), and one Cd(1) atom to form SeTm4Cd trigonal bipyramids that share  a cornercorner with one Se(5)Tm3Cd tetrahedra, corners with four equivalent Se(6)Tm4 tetrahedra, corners with two equivalent Se(3)Tm5 trigonal bipyramids, corners with two equivalent Se(4)Tm5 trigonal bipyramids,  an edgeedge with one Se(6)Tm4 tetrahedra,  an edgeedge with one Se(4)Tm5 trigonal bipyramid, edges with two equivalent Se(2)Tm3Cd2 trigonal bipyramids, and edges with two equivalent Se(1)Tm4Cd trigonal bipyramids. In the second Se site, Se(2) is bonded to one Tm(4), two equivalent Tm(1), and two equivalent Cd(1) atoms to form SeTm3Cd2 trigonal bipyramids that share  a cornercorner with one Se(6)Tm4 tetrahedra, corners with four equivalent Se(5)Tm3Cd tetrahedra, corners with two equivalent Se(3)Tm5 trigonal bipyramids, corners with two equivalent Se(4)Tm5 trigonal bipyramids,  an edgeedge with one Se(5)Tm3Cd tetrahedra,  an edgeedge with one Se(3)Tm5 trigonal bipyramid, edges with two equivalent Se(2)Tm3Cd2 trigonal bipyramids, and edges with two equivalent Se(1)Tm4Cd trigonal bipyramids. In the third Se site, Se(3) is bonded to one Tm(2), two equivalent Tm(1), and two equivalent Tm(3) atoms to form distorted SeTm5 trigonal bipyramids that share corners with four equivalent Se(5)Tm3Cd tetrahedra, corners with two equivalent Se(2)Tm3Cd2 trigonal bipyramids, corners with two equivalent Se(1)Tm4Cd trigonal bipyramids, corners with two equivalent Se(4)Tm5 trigonal bipyramids,  an edgeedge with one Se(5)Tm3Cd tetrahedra, edges with two equivalent Se(6)Tm4 tetrahedra,  an edgeedge with one Se(2)Tm3Cd2 trigonal bipyramid, edges with two equivalent Se(3)Tm5 trigonal bipyramids, and edges with three equivalent Se(4)Tm5 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to one Tm(1), two equivalent Tm(2), and two equivalent Tm(3) atoms to form distorted SeTm5 trigonal bipyramids that share corners with four equivalent Se(6)Tm4 tetrahedra, corners with two equivalent Se(2)Tm3Cd2 trigonal bipyramids, corners with two equivalent Se(1)Tm4Cd trigonal bipyramids, corners with two equivalent Se(3)Tm5 trigonal bipyramids,  an edgeedge with one Se(6)Tm4 tetrahedra, edges with two equivalent Se(5)Tm3Cd tetrahedra,  an edgeedge with one Se(1)Tm4Cd trigonal bipyramid, edges with two equivalent Se(4)Tm5 trigonal bipyramids, and edges with three equivalent Se(3)Tm5 trigonal bipyramids. In the fifth Se site, Se(5) is bonded to one Tm(3), two equivalent Tm(1), and one Cd(1) atom to form distorted SeTm3Cd tetrahedra that share  a cornercorner with one Se(6)Tm4 tetrahedra, corners with two equivalent Se(5)Tm3Cd tetrahedra,  a cornercorner with one Se(1)Tm4Cd trigonal bipyramid, corners with four equivalent Se(2)Tm3Cd2 trigonal bipyramids, corners with four equivalent Se(3)Tm5 trigonal bipyramids,  an edgeedge with one Se(2)Tm3Cd2 trigonal bipyramid,  an edgeedge with one Se(3)Tm5 trigonal bipyramid, and edges with two equivalent Se(4)Tm5 trigonal bipyramids. In the sixth Se site, Se(6) is bonded to one Tm(3), one Tm(4), and two equivalent Tm(2) atoms to form SeTm4 tetrahedra that share  a cornercorner with one Se(5)Tm3Cd tetrahedra, corners with two equivalent Se(6)Tm4 tetrahedra,  a cornercorner with one Se(2)Tm3Cd2 trigonal bipyramid, corners with four equivalent Se(1)Tm4Cd trigonal bipyramids, corners with four equivalent Se(4)Tm5 trigonal bipyramids,  an edgeedge with one Se(1)Tm4Cd trigonal bipyramid,  an edgeedge with one Se(4)Tm5 trigonal bipyramid, and edges with two equivalent Se(3)Tm5 trigonal bipyramids. In the seventh Se site, Se(7) is bonded in a rectangular see-saw-like geometry to two equivalent Tm(4) and two equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm4CdSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.888
_cell_length_b   6.888
_cell_length_c   12.065
_cell_angle_alpha   75.848
_cell_angle_beta   75.848
_cell_angle_gamma   33.335
_symmetry_Int_Tables_number   1
_cell_volume   304.147
_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
  Tm  Tm0  1  0.695  0.695  0.198  1.0
  Tm  Tm1  1  0.306  0.306  0.805  1.0
  Tm  Tm2  1  0.000  0.000  0.002  1.0
  Tm  Tm3  1  0.115  0.115  0.572  1.0
  Cd  Cd4  1  0.884  0.884  0.421  1.0
  Se  Se5  1  0.742  0.742  0.648  1.0
  Se  Se6  1  0.256  0.256  0.351  1.0
  Se  Se7  1  0.340  0.340  0.049  1.0
  Se  Se8  1  0.660  0.660  0.949  1.0
  Se  Se9  1  0.039  0.039  0.217  1.0
  Se  Se10  1  0.961  0.961  0.785  1.0
  Se  Se11  1  0.501  0.501  0.503  1.0
[/CIF]
.