The material described by TaO12Tl is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight 7440-28-0 atoms and eight TaO12 clusters. In each TaO12 cluster, Ta(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaTlO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   7.629
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   313.955
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
  Tl  Tl3  1  0.750  0.750  0.750  1.0
  O  O4  1  0.939  0.269  0.269  1.0
  O  O5  1  0.269  0.939  0.523  1.0
  O  O6  1  0.269  0.523  0.939  1.0
  O  O7  1  0.269  0.939  0.269  1.0
  O  O8  1  0.311  0.981  0.727  1.0
  O  O9  1  0.311  0.981  0.981  1.0
  O  O10  1  0.523  0.269  0.269  1.0
  O  O11  1  0.523  0.269  0.939  1.0
  O  O12  1  0.981  0.311  0.981  1.0
  O  O13  1  0.981  0.311  0.727  1.0
  O  O14  1  0.939  0.269  0.523  1.0
  O  O15  1  0.981  0.727  0.981  1.0
  O  O16  1  0.981  0.727  0.311  1.0
  O  O17  1  0.269  0.523  0.269  1.0
  O  O18  1  0.727  0.981  0.311  1.0
  O  O19  1  0.727  0.981  0.981  1.0
  O  O20  1  0.269  0.269  0.939  1.0
  O  O21  1  0.523  0.939  0.269  1.0
  O  O22  1  0.269  0.269  0.523  1.0
  O  O23  1  0.939  0.523  0.269  1.0
  O  O24  1  0.727  0.311  0.981  1.0
  O  O25  1  0.981  0.981  0.311  1.0
  O  O26  1  0.311  0.727  0.981  1.0
  O  O27  1  0.981  0.981  0.727  1.0
[/CIF]
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The material described by TaO12Tl is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight 7440-28-0 atoms and eight TaO12 clusters. In each TaO12 cluster, Ta(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaTlO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   7.629
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   313.955
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
  Tl  Tl3  1  0.750  0.750  0.750  1.0
  O  O4  1  0.939  0.269  0.269  1.0
  O  O5  1  0.269  0.939  0.523  1.0
  O  O6  1  0.269  0.523  0.939  1.0
  O  O7  1  0.269  0.939  0.269  1.0
  O  O8  1  0.311  0.981  0.727  1.0
  O  O9  1  0.311  0.981  0.981  1.0
  O  O10  1  0.523  0.269  0.269  1.0
  O  O11  1  0.523  0.269  0.939  1.0
  O  O12  1  0.981  0.311  0.981  1.0
  O  O13  1  0.981  0.311  0.727  1.0
  O  O14  1  0.939  0.269  0.523  1.0
  O  O15  1  0.981  0.727  0.981  1.0
  O  O16  1  0.981  0.727  0.311  1.0
  O  O17  1  0.269  0.523  0.269  1.0
  O  O18  1  0.727  0.981  0.311  1.0
  O  O19  1  0.727  0.981  0.981  1.0
  O  O20  1  0.269  0.269  0.939  1.0
  O  O21  1  0.523  0.939  0.269  1.0
  O  O22  1  0.269  0.269  0.523  1.0
  O  O23  1  0.939  0.523  0.269  1.0
  O  O24  1  0.727  0.311  0.981  1.0
  O  O25  1  0.981  0.981  0.311  1.0
  O  O26  1  0.311  0.727  0.981  1.0
  O  O27  1  0.981  0.981  0.727  1.0
[/CIF]
.