The compound described by TmSe2 crystallizes in the tetragonal P4/nmm space group. Tm(1) is bonded in a 9-coordinate geometry to four equivalent Se(1) and five equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to four equivalent Tm(1) and four equivalent Se(1) atoms. In the second Se site, Se(2) is bonded to five equivalent Tm(1) atoms to form a mixture of distorted corner and edge-sharing SeTm5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.024
_cell_length_b   4.024
_cell_length_c   8.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.687
_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
  Tm  Tm0  1  0.750  0.750  0.727  1.0
  Tm  Tm1  1  0.250  0.250  0.273  1.0
  Se  Se2  1  0.750  0.250  0.000  1.0
  Se  Se3  1  0.250  0.750  0.000  1.0
  Se  Se4  1  0.750  0.750  0.371  1.0
  Se  Se5  1  0.250  0.250  0.629  1.0
[/CIF]
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The compound described by TmSe2 crystallizes in the tetragonal P4/nmm space group. Tm(1) is bonded in a 9-coordinate geometry to four equivalent Se(1) and five equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to four equivalent Tm(1) and four equivalent Se(1) atoms. In the second Se site, Se(2) is bonded to five equivalent Tm(1) atoms to form a mixture of distorted corner and edge-sharing SeTm5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.024
_cell_length_b   4.024
_cell_length_c   8.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.687
_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
  Tm  Tm0  1  0.750  0.750  0.727  1.0
  Tm  Tm1  1  0.250  0.250  0.273  1.0
  Se  Se2  1  0.750  0.250  0.000  1.0
  Se  Se3  1  0.250  0.750  0.000  1.0
  Se  Se4  1  0.750  0.750  0.371  1.0
  Se  Se5  1  0.250  0.250  0.629  1.0
[/CIF]
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