The material described by Li(TaO3)4 is High-temperature superconductor-derived structured and crystallizes in the cubic Im-3 space group. The structure consists of two 7439-93-2 atoms inside a TaO3 framework. In the TaO3 framework, Ta(1) is bonded to six equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 4°. O(1) is bonded in a linear geometry to two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_LiTa4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.856
_cell_length_b   6.856
_cell_length_c   6.856
_cell_angle_alpha   109.469
_cell_angle_beta   109.466
_cell_angle_gamma   109.479
_symmetry_Int_Tables_number   1
_cell_volume   248.067
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  1.000  0.500  1.000  1.0
  Ta  Ta2  1  0.000  0.000  0.500  1.0
  Ta  Ta3  1  0.500  0.500  0.500  1.0
  Ta  Ta4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.240  0.989  0.749  1.0
  O  O6  1  0.011  0.251  0.760  1.0
  O  O7  1  0.240  0.491  0.251  1.0
  O  O8  1  0.251  0.760  0.011  1.0
  O  O9  1  0.509  0.749  0.760  1.0
  O  O10  1  0.251  0.240  0.491  1.0
  O  O11  1  0.749  0.760  0.509  1.0
  O  O12  1  0.491  0.251  0.240  1.0
  O  O13  1  0.749  0.240  0.990  1.0
  O  O14  1  0.760  0.509  0.749  1.0
  O  O15  1  0.989  0.749  0.240  1.0
  O  O16  1  0.760  0.011  0.251  1.0
[/CIF]
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The material described by Li(TaO3)4 is High-temperature superconductor-derived structured and crystallizes in the cubic Im-3 space group. The structure consists of two 7439-93-2 atoms inside a TaO3 framework. In the TaO3 framework, Ta(1) is bonded to six equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 4°. O(1) is bonded in a linear geometry to two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_LiTa4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.856
_cell_length_b   6.856
_cell_length_c   6.856
_cell_angle_alpha   109.469
_cell_angle_beta   109.466
_cell_angle_gamma   109.479
_symmetry_Int_Tables_number   1
_cell_volume   248.067
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  1.000  0.500  1.000  1.0
  Ta  Ta2  1  0.000  0.000  0.500  1.0
  Ta  Ta3  1  0.500  0.500  0.500  1.0
  Ta  Ta4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.240  0.989  0.749  1.0
  O  O6  1  0.011  0.251  0.760  1.0
  O  O7  1  0.240  0.491  0.251  1.0
  O  O8  1  0.251  0.760  0.011  1.0
  O  O9  1  0.509  0.749  0.760  1.0
  O  O10  1  0.251  0.240  0.491  1.0
  O  O11  1  0.749  0.760  0.509  1.0
  O  O12  1  0.491  0.251  0.240  1.0
  O  O13  1  0.749  0.240  0.990  1.0
  O  O14  1  0.760  0.509  0.749  1.0
  O  O15  1  0.989  0.749  0.240  1.0
  O  O16  1  0.760  0.011  0.251  1.0
[/CIF]
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