The compound described by Li2Ta4O11 crystallizes in the trigonal R-3c space group. Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Ta site, Ta(2) is bonded to six equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Li(1)O4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to three equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded to one Li(1) and three equivalent Ta(1) atoms to form corner-sharing OLiTa3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ta4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.851
_cell_length_b   12.851
_cell_length_c   12.851
_cell_angle_alpha   28.241
_cell_angle_beta   28.241
_cell_angle_gamma   28.241
_symmetry_Int_Tables_number   1
_cell_volume   419.892
_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
  Li  Li0  1  0.649  0.649  0.649  1.0
  Li  Li1  1  0.851  0.851  0.851  1.0
  Li  Li2  1  0.149  0.149  0.149  1.0
  Li  Li3  1  0.351  0.351  0.351  1.0
  Ta  Ta4  1  0.108  0.750  0.392  1.0
  Ta  Ta5  1  0.608  0.892  0.250  1.0
  Ta  Ta6  1  0.500  0.500  0.500  1.0
  Ta  Ta7  1  0.750  0.392  0.108  1.0
  Ta  Ta8  1  0.250  0.608  0.892  1.0
  Ta  Ta9  1  0.392  0.108  0.750  1.0
  Ta  Ta10  1  0.000  0.000  0.000  1.0
  Ta  Ta11  1  0.892  0.250  0.608  1.0
  O  O12  1  0.502  0.750  0.998  1.0
  O  O13  1  0.002  0.498  0.250  1.0
  O  O14  1  0.234  0.752  0.422  1.0
  O  O15  1  0.078  0.748  0.266  1.0
  O  O16  1  0.094  0.094  0.094  1.0
  O  O17  1  0.734  0.922  0.252  1.0
  O  O18  1  0.748  0.266  0.078  1.0
  O  O19  1  0.578  0.766  0.248  1.0
  O  O20  1  0.594  0.594  0.594  1.0
  O  O21  1  0.750  0.998  0.502  1.0
  O  O22  1  0.752  0.422  0.234  1.0
  O  O23  1  0.248  0.578  0.766  1.0
  O  O24  1  0.250  0.002  0.498  1.0
  O  O25  1  0.406  0.406  0.406  1.0
  O  O26  1  0.422  0.234  0.752  1.0
  O  O27  1  0.252  0.734  0.922  1.0
  O  O28  1  0.266  0.078  0.748  1.0
  O  O29  1  0.906  0.906  0.906  1.0
  O  O30  1  0.922  0.252  0.734  1.0
  O  O31  1  0.766  0.248  0.578  1.0
  O  O32  1  0.998  0.502  0.750  1.0
  O  O33  1  0.498  0.250  0.002  1.0
[/CIF]
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The compound described by Li2Ta4O11 crystallizes in the trigonal R-3c space group. Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Ta site, Ta(2) is bonded to six equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Li(1)O4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to three equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded to one Li(1) and three equivalent Ta(1) atoms to form corner-sharing OLiTa3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ta4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.851
_cell_length_b   12.851
_cell_length_c   12.851
_cell_angle_alpha   28.241
_cell_angle_beta   28.241
_cell_angle_gamma   28.241
_symmetry_Int_Tables_number   1
_cell_volume   419.892
_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
  Li  Li0  1  0.649  0.649  0.649  1.0
  Li  Li1  1  0.851  0.851  0.851  1.0
  Li  Li2  1  0.149  0.149  0.149  1.0
  Li  Li3  1  0.351  0.351  0.351  1.0
  Ta  Ta4  1  0.108  0.750  0.392  1.0
  Ta  Ta5  1  0.608  0.892  0.250  1.0
  Ta  Ta6  1  0.500  0.500  0.500  1.0
  Ta  Ta7  1  0.750  0.392  0.108  1.0
  Ta  Ta8  1  0.250  0.608  0.892  1.0
  Ta  Ta9  1  0.392  0.108  0.750  1.0
  Ta  Ta10  1  0.000  0.000  0.000  1.0
  Ta  Ta11  1  0.892  0.250  0.608  1.0
  O  O12  1  0.502  0.750  0.998  1.0
  O  O13  1  0.002  0.498  0.250  1.0
  O  O14  1  0.234  0.752  0.422  1.0
  O  O15  1  0.078  0.748  0.266  1.0
  O  O16  1  0.094  0.094  0.094  1.0
  O  O17  1  0.734  0.922  0.252  1.0
  O  O18  1  0.748  0.266  0.078  1.0
  O  O19  1  0.578  0.766  0.248  1.0
  O  O20  1  0.594  0.594  0.594  1.0
  O  O21  1  0.750  0.998  0.502  1.0
  O  O22  1  0.752  0.422  0.234  1.0
  O  O23  1  0.248  0.578  0.766  1.0
  O  O24  1  0.250  0.002  0.498  1.0
  O  O25  1  0.406  0.406  0.406  1.0
  O  O26  1  0.422  0.234  0.752  1.0
  O  O27  1  0.252  0.734  0.922  1.0
  O  O28  1  0.266  0.078  0.748  1.0
  O  O29  1  0.906  0.906  0.906  1.0
  O  O30  1  0.922  0.252  0.734  1.0
  O  O31  1  0.766  0.248  0.578  1.0
  O  O32  1  0.998  0.502  0.750  1.0
  O  O33  1  0.498  0.250  0.002  1.0
[/CIF]
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