The compound described by LiTa3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. In the second Ta site, Ta(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted TaO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Ta(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTa3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.465
_cell_length_b   7.465
_cell_length_c   5.047
_cell_angle_alpha   89.427
_cell_angle_beta   89.427
_cell_angle_gamma   101.662
_symmetry_Int_Tables_number   1
_cell_volume   275.422
_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  0.844  0.156  0.750  1.0
  Li  Li1  1  0.156  0.844  0.250  1.0
  Ta  Ta2  1  0.330  0.670  0.750  1.0
  Ta  Ta3  1  0.670  0.330  0.250  1.0
  Ta  Ta4  1  0.846  0.673  0.746  1.0
  Ta  Ta5  1  0.327  0.154  0.754  1.0
  Ta  Ta6  1  0.154  0.327  0.254  1.0
  Ta  Ta7  1  0.673  0.846  0.246  1.0
  O  O8  1  0.081  0.687  0.603  1.0
  O  O9  1  0.313  0.919  0.897  1.0
  O  O10  1  0.919  0.313  0.397  1.0
  O  O11  1  0.687  0.081  0.103  1.0
  O  O12  1  0.195  0.096  0.435  1.0
  O  O13  1  0.904  0.805  0.065  1.0
  O  O14  1  0.805  0.904  0.565  1.0
  O  O15  1  0.096  0.195  0.935  1.0
  O  O16  1  0.438  0.795  0.424  1.0
  O  O17  1  0.205  0.562  0.076  1.0
  O  O18  1  0.562  0.205  0.576  1.0
  O  O19  1  0.795  0.438  0.924  1.0
  O  O20  1  0.431  0.304  0.082  1.0
  O  O21  1  0.696  0.569  0.418  1.0
  O  O22  1  0.569  0.696  0.918  1.0
  O  O23  1  0.304  0.431  0.582  1.0
[/CIF]
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The compound described by LiTa3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. In the second Ta site, Ta(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted TaO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Ta(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTa3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.465
_cell_length_b   7.465
_cell_length_c   5.047
_cell_angle_alpha   89.427
_cell_angle_beta   89.427
_cell_angle_gamma   101.662
_symmetry_Int_Tables_number   1
_cell_volume   275.422
_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  0.844  0.156  0.750  1.0
  Li  Li1  1  0.156  0.844  0.250  1.0
  Ta  Ta2  1  0.330  0.670  0.750  1.0
  Ta  Ta3  1  0.670  0.330  0.250  1.0
  Ta  Ta4  1  0.846  0.673  0.746  1.0
  Ta  Ta5  1  0.327  0.154  0.754  1.0
  Ta  Ta6  1  0.154  0.327  0.254  1.0
  Ta  Ta7  1  0.673  0.846  0.246  1.0
  O  O8  1  0.081  0.687  0.603  1.0
  O  O9  1  0.313  0.919  0.897  1.0
  O  O10  1  0.919  0.313  0.397  1.0
  O  O11  1  0.687  0.081  0.103  1.0
  O  O12  1  0.195  0.096  0.435  1.0
  O  O13  1  0.904  0.805  0.065  1.0
  O  O14  1  0.805  0.904  0.565  1.0
  O  O15  1  0.096  0.195  0.935  1.0
  O  O16  1  0.438  0.795  0.424  1.0
  O  O17  1  0.205  0.562  0.076  1.0
  O  O18  1  0.562  0.205  0.576  1.0
  O  O19  1  0.795  0.438  0.924  1.0
  O  O20  1  0.431  0.304  0.082  1.0
  O  O21  1  0.696  0.569  0.418  1.0
  O  O22  1  0.569  0.696  0.918  1.0
  O  O23  1  0.304  0.431  0.582  1.0
[/CIF]
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