The material structure described by Li2Ta2W2O13 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(7), and two equivalent O(4) atoms. Ta(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. W(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one W(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a tetrahedral geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_Li2Ta2W2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.416
_cell_length_b   7.416
_cell_length_c   7.416
_cell_angle_alpha   120.231
_cell_angle_beta   119.812
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   288.300
_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  0.566  0.297  0.731  1.0
  Li  Li1  1  0.566  0.835  0.269  1.0
  Ta  Ta2  1  0.126  0.870  0.255  1.0
  Ta  Ta3  1  0.615  0.870  0.745  1.0
  W  W4  1  0.120  0.871  0.751  1.0
  W  W5  1  0.120  0.369  0.249  1.0
  O  O6  1  0.429  0.935  0.865  1.0
  O  O7  1  0.070  0.935  0.506  1.0
  O  O8  1  0.066  0.566  0.500  1.0
  O  O9  1  0.070  0.564  0.135  1.0
  O  O10  1  0.429  0.564  0.494  1.0
  O  O11  1  0.454  0.954  0.500  1.0
  O  O12  1  0.814  0.815  0.621  1.0
  O  O13  1  0.194  0.815  0.001  1.0
  O  O14  1  0.179  0.179  0.000  1.0
  O  O15  1  0.194  0.193  0.379  1.0
  O  O16  1  0.814  0.193  0.999  1.0
  O  O17  1  0.816  0.816  0.000  1.0
  O  O18  1  0.608  0.608  0.000  1.0
[/CIF]
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The material structure described by Li2Ta2W2O13 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(7), and two equivalent O(4) atoms. Ta(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. W(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one W(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a tetrahedral geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_Li2Ta2W2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.416
_cell_length_b   7.416
_cell_length_c   7.416
_cell_angle_alpha   120.231
_cell_angle_beta   119.812
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   288.300
_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  0.566  0.297  0.731  1.0
  Li  Li1  1  0.566  0.835  0.269  1.0
  Ta  Ta2  1  0.126  0.870  0.255  1.0
  Ta  Ta3  1  0.615  0.870  0.745  1.0
  W  W4  1  0.120  0.871  0.751  1.0
  W  W5  1  0.120  0.369  0.249  1.0
  O  O6  1  0.429  0.935  0.865  1.0
  O  O7  1  0.070  0.935  0.506  1.0
  O  O8  1  0.066  0.566  0.500  1.0
  O  O9  1  0.070  0.564  0.135  1.0
  O  O10  1  0.429  0.564  0.494  1.0
  O  O11  1  0.454  0.954  0.500  1.0
  O  O12  1  0.814  0.815  0.621  1.0
  O  O13  1  0.194  0.815  0.001  1.0
  O  O14  1  0.179  0.179  0.000  1.0
  O  O15  1  0.194  0.193  0.379  1.0
  O  O16  1  0.814  0.193  0.999  1.0
  O  O17  1  0.816  0.816  0.000  1.0
  O  O18  1  0.608  0.608  0.000  1.0
[/CIF]
.