The crystal structure described by Tm2In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 14-coordinate geometry to two equivalent Tm(1), six equivalent Tm(2), and six equivalent In(1) atoms. In the second Tm site, Tm(2) is bonded to six equivalent Tm(1) and five equivalent In(1) atoms to form a mixture of distorted face and corner-sharing TmTm6In5 trigonal bipyramids. In(1) is bonded in a 11-coordinate geometry to five equivalent Tm(2) and six equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.284
_cell_length_b   5.284
_cell_length_c   6.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   160.340
_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  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.667  0.333  0.250  1.0
  Tm  Tm2  1  0.333  0.667  0.750  1.0
  Tm  Tm3  1  0.000  0.000  0.500  1.0
  In  In4  1  0.333  0.667  0.250  1.0
  In  In5  1  0.667  0.333  0.750  1.0
[/CIF]
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The crystal structure described by Tm2In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 14-coordinate geometry to two equivalent Tm(1), six equivalent Tm(2), and six equivalent In(1) atoms. In the second Tm site, Tm(2) is bonded to six equivalent Tm(1) and five equivalent In(1) atoms to form a mixture of distorted face and corner-sharing TmTm6In5 trigonal bipyramids. In(1) is bonded in a 11-coordinate geometry to five equivalent Tm(2) and six equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.284
_cell_length_b   5.284
_cell_length_c   6.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   160.340
_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  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.667  0.333  0.250  1.0
  Tm  Tm2  1  0.333  0.667  0.750  1.0
  Tm  Tm3  1  0.000  0.000  0.500  1.0
  In  In4  1  0.333  0.667  0.250  1.0
  In  In5  1  0.667  0.333  0.750  1.0
[/CIF]
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