The material described by Ca(TmS2)2 crystallizes in the orthorhombic Cmc2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms to form a mixture of corner and edge-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the second Tm site, Tm(2) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of corner and edge-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ca(1), one Tm(1), and one Tm(2) atom to form distorted SCa2Tm2 tetrahedra that share corners with two equivalent S(4)CaTm4 square pyramids, corners with two equivalent S(1)Ca2Tm2 tetrahedra, corners with five equivalent S(2)Ca2Tm3 trigonal bipyramids, corners with five equivalent S(3)Ca2Tm3 trigonal bipyramids, edges with two equivalent S(4)CaTm4 square pyramids,  an edgeedge with one S(2)Ca2Tm3 trigonal bipyramid, and  an edgeedge with one S(3)Ca2Tm3 trigonal bipyramid. In the second S site, S(2) is bonded to two equivalent Ca(1), one Tm(1), and two equivalent Tm(2) atoms to form SCa2Tm3 trigonal bipyramids that share corners with two equivalent S(4)CaTm4 square pyramids, corners with five equivalent S(1)Ca2Tm2 tetrahedra, corners with two equivalent S(3)Ca2Tm3 trigonal bipyramids, edges with three equivalent S(4)CaTm4 square pyramids,  an edgeedge with one S(1)Ca2Tm2 tetrahedra, edges with two equivalent S(2)Ca2Tm3 trigonal bipyramids, and edges with three equivalent S(3)Ca2Tm3 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Ca(1), one Tm(2), and two equivalent Tm(1) atoms to form distorted SCa2Tm3 trigonal bipyramids that share corners with six equivalent S(4)CaTm4 square pyramids, corners with five equivalent S(1)Ca2Tm2 tetrahedra, corners with two equivalent S(2)Ca2Tm3 trigonal bipyramids,  an edgeedge with one S(4)CaTm4 square pyramid,  an edgeedge with one S(1)Ca2Tm2 tetrahedra, edges with two equivalent S(3)Ca2Tm3 trigonal bipyramids, and edges with three equivalent S(2)Ca2Tm3 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Ca(1), two equivalent Tm(1), and two equivalent Tm(2) atoms to form SCaTm4 square pyramids that share corners with two equivalent S(1)Ca2Tm2 tetrahedra, corners with two equivalent S(2)Ca2Tm3 trigonal bipyramids, corners with six equivalent S(3)Ca2Tm3 trigonal bipyramids, edges with two equivalent S(4)CaTm4 square pyramids, edges with two equivalent S(1)Ca2Tm2 tetrahedra,  an edgeedge with one S(3)Ca2Tm3 trigonal bipyramid, and edges with three equivalent S(2)Ca2Tm3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(TmS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   6.661
_cell_length_c   13.185
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.351
_symmetry_Int_Tables_number   1
_cell_volume   324.129
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.886  0.114  0.015  1.0
  Ca  Ca1  1  0.114  0.886  0.515  1.0
  Tm  Tm2  1  0.358  0.642  0.325  1.0
  Tm  Tm3  1  0.642  0.358  0.825  1.0
  Tm  Tm4  1  0.626  0.374  0.181  1.0
  Tm  Tm5  1  0.374  0.626  0.681  1.0
  S  S6  1  0.541  0.459  0.999  1.0
  S  S7  1  0.459  0.541  0.499  1.0
  S  S8  1  0.736  0.264  0.638  1.0
  S  S9  1  0.264  0.736  0.138  1.0
  S  S10  1  0.720  0.280  0.370  1.0
  S  S11  1  0.280  0.720  0.870  1.0
  S  S12  1  0.986  0.014  0.240  1.0
  S  S13  1  0.014  0.986  0.740  1.0
[/CIF]
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The material described by Ca(TmS2)2 crystallizes in the orthorhombic Cmc2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms to form a mixture of corner and edge-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the second Tm site, Tm(2) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of corner and edge-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ca(1), one Tm(1), and one Tm(2) atom to form distorted SCa2Tm2 tetrahedra that share corners with two equivalent S(4)CaTm4 square pyramids, corners with two equivalent S(1)Ca2Tm2 tetrahedra, corners with five equivalent S(2)Ca2Tm3 trigonal bipyramids, corners with five equivalent S(3)Ca2Tm3 trigonal bipyramids, edges with two equivalent S(4)CaTm4 square pyramids,  an edgeedge with one S(2)Ca2Tm3 trigonal bipyramid, and  an edgeedge with one S(3)Ca2Tm3 trigonal bipyramid. In the second S site, S(2) is bonded to two equivalent Ca(1), one Tm(1), and two equivalent Tm(2) atoms to form SCa2Tm3 trigonal bipyramids that share corners with two equivalent S(4)CaTm4 square pyramids, corners with five equivalent S(1)Ca2Tm2 tetrahedra, corners with two equivalent S(3)Ca2Tm3 trigonal bipyramids, edges with three equivalent S(4)CaTm4 square pyramids,  an edgeedge with one S(1)Ca2Tm2 tetrahedra, edges with two equivalent S(2)Ca2Tm3 trigonal bipyramids, and edges with three equivalent S(3)Ca2Tm3 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Ca(1), one Tm(2), and two equivalent Tm(1) atoms to form distorted SCa2Tm3 trigonal bipyramids that share corners with six equivalent S(4)CaTm4 square pyramids, corners with five equivalent S(1)Ca2Tm2 tetrahedra, corners with two equivalent S(2)Ca2Tm3 trigonal bipyramids,  an edgeedge with one S(4)CaTm4 square pyramid,  an edgeedge with one S(1)Ca2Tm2 tetrahedra, edges with two equivalent S(3)Ca2Tm3 trigonal bipyramids, and edges with three equivalent S(2)Ca2Tm3 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Ca(1), two equivalent Tm(1), and two equivalent Tm(2) atoms to form SCaTm4 square pyramids that share corners with two equivalent S(1)Ca2Tm2 tetrahedra, corners with two equivalent S(2)Ca2Tm3 trigonal bipyramids, corners with six equivalent S(3)Ca2Tm3 trigonal bipyramids, edges with two equivalent S(4)CaTm4 square pyramids, edges with two equivalent S(1)Ca2Tm2 tetrahedra,  an edgeedge with one S(3)Ca2Tm3 trigonal bipyramid, and edges with three equivalent S(2)Ca2Tm3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(TmS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   6.661
_cell_length_c   13.185
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.351
_symmetry_Int_Tables_number   1
_cell_volume   324.129
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.886  0.114  0.015  1.0
  Ca  Ca1  1  0.114  0.886  0.515  1.0
  Tm  Tm2  1  0.358  0.642  0.325  1.0
  Tm  Tm3  1  0.642  0.358  0.825  1.0
  Tm  Tm4  1  0.626  0.374  0.181  1.0
  Tm  Tm5  1  0.374  0.626  0.681  1.0
  S  S6  1  0.541  0.459  0.999  1.0
  S  S7  1  0.459  0.541  0.499  1.0
  S  S8  1  0.736  0.264  0.638  1.0
  S  S9  1  0.264  0.736  0.138  1.0
  S  S10  1  0.720  0.280  0.370  1.0
  S  S11  1  0.280  0.720  0.870  1.0
  S  S12  1  0.986  0.014  0.240  1.0
  S  S13  1  0.014  0.986  0.740  1.0
[/CIF]
.