The material structure described by Co2Ta is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. In the third Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. In the fourth Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ta(1); four Ta(2,2); two equivalent Co(3); and four equivalent Co(1) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Ta(2); four Ta(1,1); two equivalent Co(3); and four equivalent Co(2) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. In the third Co site, Co(3) is bonded to three equivalent Ta(1), three equivalent Ta(2), three equivalent Co(1), and three equivalent Co(2) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. is represented by the CIF file [CIF]
data_TaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.752
_cell_length_b   4.752
_cell_length_c   15.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   302.691
_cell_formula_units_Z   8
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
  Ta  Ta0  1  0.333  0.667  0.844  1.0
  Ta  Ta1  1  0.000  0.000  0.092  1.0
  Ta  Ta2  1  0.667  0.333  0.156  1.0
  Ta  Ta3  1  0.000  0.000  0.908  1.0
  Ta  Ta4  1  0.000  0.000  0.592  1.0
  Ta  Ta5  1  0.000  0.000  0.408  1.0
  Ta  Ta6  1  0.667  0.333  0.344  1.0
  Ta  Ta7  1  0.333  0.667  0.656  1.0
  Co  Co8  1  0.500  0.000  0.000  1.0
  Co  Co9  1  0.835  0.165  0.750  1.0
  Co  Co10  1  0.667  0.333  0.874  1.0
  Co  Co11  1  0.165  0.330  0.250  1.0
  Co  Co12  1  0.330  0.165  0.750  1.0
  Co  Co13  1  0.835  0.670  0.750  1.0
  Co  Co14  1  0.000  0.500  0.000  1.0
  Co  Co15  1  0.670  0.835  0.250  1.0
  Co  Co16  1  0.500  0.000  0.500  1.0
  Co  Co17  1  0.165  0.835  0.250  1.0
  Co  Co18  1  0.333  0.667  0.126  1.0
  Co  Co19  1  0.500  0.500  0.000  1.0
  Co  Co20  1  0.667  0.333  0.626  1.0
  Co  Co21  1  0.000  0.500  0.500  1.0
  Co  Co22  1  0.333  0.667  0.374  1.0
  Co  Co23  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Co2Ta is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. In the third Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. In the fourth Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ta(1); four Ta(2,2); two equivalent Co(3); and four equivalent Co(1) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Ta(2); four Ta(1,1); two equivalent Co(3); and four equivalent Co(2) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. In the third Co site, Co(3) is bonded to three equivalent Ta(1), three equivalent Ta(2), three equivalent Co(1), and three equivalent Co(2) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. is represented by the CIF file [CIF]
data_TaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.752
_cell_length_b   4.752
_cell_length_c   15.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   302.691
_cell_formula_units_Z   8
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
  Ta  Ta0  1  0.333  0.667  0.844  1.0
  Ta  Ta1  1  0.000  0.000  0.092  1.0
  Ta  Ta2  1  0.667  0.333  0.156  1.0
  Ta  Ta3  1  0.000  0.000  0.908  1.0
  Ta  Ta4  1  0.000  0.000  0.592  1.0
  Ta  Ta5  1  0.000  0.000  0.408  1.0
  Ta  Ta6  1  0.667  0.333  0.344  1.0
  Ta  Ta7  1  0.333  0.667  0.656  1.0
  Co  Co8  1  0.500  0.000  0.000  1.0
  Co  Co9  1  0.835  0.165  0.750  1.0
  Co  Co10  1  0.667  0.333  0.874  1.0
  Co  Co11  1  0.165  0.330  0.250  1.0
  Co  Co12  1  0.330  0.165  0.750  1.0
  Co  Co13  1  0.835  0.670  0.750  1.0
  Co  Co14  1  0.000  0.500  0.000  1.0
  Co  Co15  1  0.670  0.835  0.250  1.0
  Co  Co16  1  0.500  0.000  0.500  1.0
  Co  Co17  1  0.165  0.835  0.250  1.0
  Co  Co18  1  0.333  0.667  0.126  1.0
  Co  Co19  1  0.500  0.500  0.000  1.0
  Co  Co20  1  0.667  0.333  0.626  1.0
  Co  Co21  1  0.000  0.500  0.500  1.0
  Co  Co22  1  0.333  0.667  0.374  1.0
  Co  Co23  1  0.500  0.500  0.500  1.0
[/CIF]
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