The crystal structure described by CaTa2Tl crystallizes in the cubic F-43m space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ta(2), six equivalent Ta(1), and four equivalent Tl(1) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 14-coordinate geometry to six equivalent Ca(1), four equivalent Ta(2), and four equivalent Tl(1) atoms. In the second Ta site, Ta(2) is bonded to four equivalent Ca(1) and four equivalent Ta(1) atoms to form distorted edge-sharing TaCa4Ta4 tetrahedra. Tl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(1) and four equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_CaTa2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.960
_cell_length_b   4.960
_cell_length_c   4.960
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   86.259
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.250  0.250  0.250  1.0
  Tl  Tl3  1  0.750  0.750  0.750  1.0
[/CIF]
.
The crystal structure described by CaTa2Tl crystallizes in the cubic F-43m space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ta(2), six equivalent Ta(1), and four equivalent Tl(1) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 14-coordinate geometry to six equivalent Ca(1), four equivalent Ta(2), and four equivalent Tl(1) atoms. In the second Ta site, Ta(2) is bonded to four equivalent Ca(1) and four equivalent Ta(1) atoms to form distorted edge-sharing TaCa4Ta4 tetrahedra. Tl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(1) and four equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_CaTa2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.960
_cell_length_b   4.960
_cell_length_c   4.960
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   86.259
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.250  0.250  0.250  1.0
  Tl  Tl3  1  0.750  0.750  0.750  1.0
[/CIF]
.