The crystal structure described by TmCl2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Tm(1) is bonded to three equivalent Cl(2) and four equivalent Cl(1) atoms to form a mixture of distorted corner and edge-sharing TmCl7 pentagonal bipyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Tm(1) atoms to form a mixture of distorted corner and edge-sharing ClTm4 tetrahedra. In the second Cl site, Cl(2) is bonded in a trigonal planar geometry to three equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_TmCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.215
_cell_length_b   7.198
_cell_length_c   12.218
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.565
_cell_formula_units_Z   8
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  0.319  0.046  0.402  1.0
  Tm  Tm1  1  0.819  0.954  0.098  1.0
  Tm  Tm2  1  0.181  0.546  0.598  1.0
  Tm  Tm3  1  0.681  0.454  0.902  1.0
  Tm  Tm4  1  0.681  0.954  0.598  1.0
  Tm  Tm5  1  0.181  0.046  0.902  1.0
  Tm  Tm6  1  0.819  0.454  0.402  1.0
  Tm  Tm7  1  0.319  0.546  0.098  1.0
  Cl  Cl8  1  0.021  0.206  0.544  1.0
  Cl  Cl9  1  0.521  0.794  0.956  1.0
  Cl  Cl10  1  0.479  0.706  0.456  1.0
  Cl  Cl11  1  0.979  0.294  0.044  1.0
  Cl  Cl12  1  0.979  0.794  0.456  1.0
  Cl  Cl13  1  0.479  0.206  0.044  1.0
  Cl  Cl14  1  0.521  0.294  0.544  1.0
  Cl  Cl15  1  0.021  0.706  0.956  1.0
  Cl  Cl16  1  0.194  0.874  0.208  1.0
  Cl  Cl17  1  0.694  0.126  0.292  1.0
  Cl  Cl18  1  0.306  0.374  0.792  1.0
  Cl  Cl19  1  0.806  0.626  0.708  1.0
  Cl  Cl20  1  0.806  0.126  0.792  1.0
  Cl  Cl21  1  0.306  0.874  0.708  1.0
  Cl  Cl22  1  0.694  0.626  0.208  1.0
  Cl  Cl23  1  0.194  0.374  0.292  1.0
[/CIF]
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The crystal structure described by TmCl2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Tm(1) is bonded to three equivalent Cl(2) and four equivalent Cl(1) atoms to form a mixture of distorted corner and edge-sharing TmCl7 pentagonal bipyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Tm(1) atoms to form a mixture of distorted corner and edge-sharing ClTm4 tetrahedra. In the second Cl site, Cl(2) is bonded in a trigonal planar geometry to three equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_TmCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.215
_cell_length_b   7.198
_cell_length_c   12.218
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.565
_cell_formula_units_Z   8
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  0.319  0.046  0.402  1.0
  Tm  Tm1  1  0.819  0.954  0.098  1.0
  Tm  Tm2  1  0.181  0.546  0.598  1.0
  Tm  Tm3  1  0.681  0.454  0.902  1.0
  Tm  Tm4  1  0.681  0.954  0.598  1.0
  Tm  Tm5  1  0.181  0.046  0.902  1.0
  Tm  Tm6  1  0.819  0.454  0.402  1.0
  Tm  Tm7  1  0.319  0.546  0.098  1.0
  Cl  Cl8  1  0.021  0.206  0.544  1.0
  Cl  Cl9  1  0.521  0.794  0.956  1.0
  Cl  Cl10  1  0.479  0.706  0.456  1.0
  Cl  Cl11  1  0.979  0.294  0.044  1.0
  Cl  Cl12  1  0.979  0.794  0.456  1.0
  Cl  Cl13  1  0.479  0.206  0.044  1.0
  Cl  Cl14  1  0.521  0.294  0.544  1.0
  Cl  Cl15  1  0.021  0.706  0.956  1.0
  Cl  Cl16  1  0.194  0.874  0.208  1.0
  Cl  Cl17  1  0.694  0.126  0.292  1.0
  Cl  Cl18  1  0.306  0.374  0.792  1.0
  Cl  Cl19  1  0.806  0.626  0.708  1.0
  Cl  Cl20  1  0.806  0.126  0.792  1.0
  Cl  Cl21  1  0.306  0.874  0.708  1.0
  Cl  Cl22  1  0.694  0.626  0.208  1.0
  Cl  Cl23  1  0.194  0.374  0.292  1.0
[/CIF]
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