The crystal structure described by ErTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Er(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 Er(1) and six equivalent Tc(2) atoms to form a mixture of edge, face, and corner-sharing TcEr6Tc6 cuboctahedra. In the second Tc site, Tc(2) is bonded to six equivalent Er(1), two equivalent Tc(1), and four equivalent Tc(2) atoms to form a mixture of edge, face, and corner-sharing TcEr6Tc6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.319
_cell_length_b   5.319
_cell_length_c   8.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   215.639
_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
  Er  Er0  1  0.667  0.333  0.563  1.0
  Er  Er1  1  0.333  0.667  0.437  1.0
  Er  Er2  1  0.333  0.667  0.063  1.0
  Er  Er3  1  0.667  0.333  0.937  1.0
  Tc  Tc4  1  0.000  0.000  0.500  1.0
  Tc  Tc5  1  0.000  0.000  0.000  1.0
  Tc  Tc6  1  0.172  0.343  0.750  1.0
  Tc  Tc7  1  0.172  0.828  0.750  1.0
  Tc  Tc8  1  0.657  0.828  0.750  1.0
  Tc  Tc9  1  0.828  0.657  0.250  1.0
  Tc  Tc10  1  0.828  0.172  0.250  1.0
  Tc  Tc11  1  0.343  0.172  0.250  1.0
[/CIF]
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The crystal structure described by ErTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Er(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 Er(1) and six equivalent Tc(2) atoms to form a mixture of edge, face, and corner-sharing TcEr6Tc6 cuboctahedra. In the second Tc site, Tc(2) is bonded to six equivalent Er(1), two equivalent Tc(1), and four equivalent Tc(2) atoms to form a mixture of edge, face, and corner-sharing TcEr6Tc6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.319
_cell_length_b   5.319
_cell_length_c   8.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   215.639
_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
  Er  Er0  1  0.667  0.333  0.563  1.0
  Er  Er1  1  0.333  0.667  0.437  1.0
  Er  Er2  1  0.333  0.667  0.063  1.0
  Er  Er3  1  0.667  0.333  0.937  1.0
  Tc  Tc4  1  0.000  0.000  0.500  1.0
  Tc  Tc5  1  0.000  0.000  0.000  1.0
  Tc  Tc6  1  0.172  0.343  0.750  1.0
  Tc  Tc7  1  0.172  0.828  0.750  1.0
  Tc  Tc8  1  0.657  0.828  0.750  1.0
  Tc  Tc9  1  0.828  0.657  0.250  1.0
  Tc  Tc10  1  0.828  0.172  0.250  1.0
  Tc  Tc11  1  0.343  0.172  0.250  1.0
[/CIF]
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