The crystal structure described by YTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 12-coordinate geometry to three equivalent Tc(1) and nine equivalent Tc(2) atoms. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to six equivalent Y(1) and six equivalent Tc(2) atoms to form a mixture of face, edge, and corner-sharing TcY6Tc6 cuboctahedra. In the second Tc site, Tc(2) is bonded to six equivalent Y(1), two equivalent Tc(1), and four equivalent Tc(2) atoms to form a mixture of face, edge, and corner-sharing TcY6Tc6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.352
_cell_length_c   8.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   220.016
_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
  Y  Y0  1  0.667  0.333  0.563  1.0
  Y  Y1  1  0.333  0.667  0.437  1.0
  Y  Y2  1  0.333  0.667  0.063  1.0
  Y  Y3  1  0.667  0.333  0.937  1.0
  Tc  Tc4  1  1.000  1.000  0.500  1.0
  Tc  Tc5  1  1.000  1.000  1.000  1.0
  Tc  Tc6  1  0.171  0.342  0.750  1.0
  Tc  Tc7  1  0.171  0.829  0.750  1.0
  Tc  Tc8  1  0.658  0.829  0.750  1.0
  Tc  Tc9  1  0.829  0.658  0.250  1.0
  Tc  Tc10  1  0.829  0.171  0.250  1.0
  Tc  Tc11  1  0.342  0.171  0.250  1.0
[/CIF]
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The crystal structure described by YTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded in a 12-coordinate geometry to three equivalent Tc(1) and nine equivalent Tc(2) atoms. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to six equivalent Y(1) and six equivalent Tc(2) atoms to form a mixture of face, edge, and corner-sharing TcY6Tc6 cuboctahedra. In the second Tc site, Tc(2) is bonded to six equivalent Y(1), two equivalent Tc(1), and four equivalent Tc(2) atoms to form a mixture of face, edge, and corner-sharing TcY6Tc6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.352
_cell_length_c   8.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   220.016
_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
  Y  Y0  1  0.667  0.333  0.563  1.0
  Y  Y1  1  0.333  0.667  0.437  1.0
  Y  Y2  1  0.333  0.667  0.063  1.0
  Y  Y3  1  0.667  0.333  0.937  1.0
  Tc  Tc4  1  1.000  1.000  0.500  1.0
  Tc  Tc5  1  1.000  1.000  1.000  1.0
  Tc  Tc6  1  0.171  0.342  0.750  1.0
  Tc  Tc7  1  0.171  0.829  0.750  1.0
  Tc  Tc8  1  0.658  0.829  0.750  1.0
  Tc  Tc9  1  0.829  0.658  0.250  1.0
  Tc  Tc10  1  0.829  0.171  0.250  1.0
  Tc  Tc11  1  0.342  0.171  0.250  1.0
[/CIF]
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