The crystal structure described by LiNbWTe2O12 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(9) atom. Nb(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. W(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(7) atom to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Te(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Nb(1), and one Te(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Nb(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one Nb(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_LiNbTe2WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.405
_cell_length_c   7.492
_cell_angle_alpha   93.072
_cell_angle_beta   90.043
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   209.397
_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  0.501  0.931  0.283  1.0
  Nb  Nb1  1  0.506  0.503  0.506  1.0
  Te  Te2  1  0.004  0.007  0.495  1.0
  Te  Te3  1  0.496  0.505  0.999  1.0
  W  W4  1  0.995  0.007  0.991  1.0
  O  O5  1  0.304  0.813  0.056  1.0
  O  O6  1  0.698  0.821  0.540  1.0
  O  O7  1  0.202  0.716  0.440  1.0
  O  O8  1  0.796  0.709  0.943  1.0
  O  O9  1  0.602  0.518  0.241  1.0
  O  O10  1  0.389  0.507  0.755  1.0
  O  O11  1  0.201  0.300  0.050  1.0
  O  O12  1  0.817  0.310  0.549  1.0
  O  O13  1  0.308  0.191  0.434  1.0
  O  O14  1  0.698  0.208  0.946  1.0
  O  O15  1  0.881  0.011  0.245  1.0
  O  O16  1  0.102  0.003  0.748  1.0
[/CIF]
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The crystal structure described by LiNbWTe2O12 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(9) atom. Nb(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. W(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(7) atom to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Te(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Nb(1), and one Te(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Nb(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one Nb(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_LiNbTe2WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.405
_cell_length_c   7.492
_cell_angle_alpha   93.072
_cell_angle_beta   90.043
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   209.397
_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  0.501  0.931  0.283  1.0
  Nb  Nb1  1  0.506  0.503  0.506  1.0
  Te  Te2  1  0.004  0.007  0.495  1.0
  Te  Te3  1  0.496  0.505  0.999  1.0
  W  W4  1  0.995  0.007  0.991  1.0
  O  O5  1  0.304  0.813  0.056  1.0
  O  O6  1  0.698  0.821  0.540  1.0
  O  O7  1  0.202  0.716  0.440  1.0
  O  O8  1  0.796  0.709  0.943  1.0
  O  O9  1  0.602  0.518  0.241  1.0
  O  O10  1  0.389  0.507  0.755  1.0
  O  O11  1  0.201  0.300  0.050  1.0
  O  O12  1  0.817  0.310  0.549  1.0
  O  O13  1  0.308  0.191  0.434  1.0
  O  O14  1  0.698  0.208  0.946  1.0
  O  O15  1  0.881  0.011  0.245  1.0
  O  O16  1  0.102  0.003  0.748  1.0
[/CIF]
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