The material described by TmRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Tm(1) is bonded in a 12-coordinate geometry to three equivalent Re(1) and nine equivalent Re(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to six equivalent Tm(1) and six equivalent Re(2) atoms to form a mixture of corner, face, and edge-sharing ReTm6Re6 cuboctahedra. In the second Re site, Re(2) is bonded to six equivalent Tm(1), two equivalent Re(1), and four equivalent Re(2) atoms to form a mixture of corner, face, and edge-sharing ReTm6Re6 cuboctahedra. is represented by the CIF file [CIF]
data_TmRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   5.405
_cell_length_c   8.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   221.637
_cell_formula_units_Z   4
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  0.667  0.333  0.563  1.0
  Tm  Tm1  1  0.333  0.667  0.437  1.0
  Tm  Tm2  1  0.333  0.667  0.063  1.0
  Tm  Tm3  1  0.667  0.333  0.937  1.0
  Re  Re4  1  0.000  0.000  0.500  1.0
  Re  Re5  1  0.000  0.000  0.000  1.0
  Re  Re6  1  0.172  0.344  0.750  1.0
  Re  Re7  1  0.172  0.828  0.750  1.0
  Re  Re8  1  0.656  0.828  0.750  1.0
  Re  Re9  1  0.828  0.656  0.250  1.0
  Re  Re10  1  0.828  0.172  0.250  1.0
  Re  Re11  1  0.344  0.172  0.250  1.0
[/CIF]
.
The material described by TmRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Tm(1) is bonded in a 12-coordinate geometry to three equivalent Re(1) and nine equivalent Re(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to six equivalent Tm(1) and six equivalent Re(2) atoms to form a mixture of corner, face, and edge-sharing ReTm6Re6 cuboctahedra. In the second Re site, Re(2) is bonded to six equivalent Tm(1), two equivalent Re(1), and four equivalent Re(2) atoms to form a mixture of corner, face, and edge-sharing ReTm6Re6 cuboctahedra. is represented by the CIF file [CIF]
data_TmRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   5.405
_cell_length_c   8.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   221.637
_cell_formula_units_Z   4
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  0.667  0.333  0.563  1.0
  Tm  Tm1  1  0.333  0.667  0.437  1.0
  Tm  Tm2  1  0.333  0.667  0.063  1.0
  Tm  Tm3  1  0.667  0.333  0.937  1.0
  Re  Re4  1  0.000  0.000  0.500  1.0
  Re  Re5  1  0.000  0.000  0.000  1.0
  Re  Re6  1  0.172  0.344  0.750  1.0
  Re  Re7  1  0.172  0.828  0.750  1.0
  Re  Re8  1  0.656  0.828  0.750  1.0
  Re  Re9  1  0.828  0.656  0.250  1.0
  Re  Re10  1  0.828  0.172  0.250  1.0
  Re  Re11  1  0.344  0.172  0.250  1.0
[/CIF]
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