The material described by LiVWTe2O12 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(12), one O(3), one O(4), and one O(7) atom. V(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 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 27-36°. W(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form WO6 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 33-39°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. In the second Te site, Te(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. 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 V(1), and one Te(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one V(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one Te(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) 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(2) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Li(1), one V(1), and one Te(2) atom. is represented by the CIF card [CIF]
data_LiVTe2WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.138
_cell_length_b   5.286
_cell_length_c   7.389
_cell_angle_alpha   87.221
_cell_angle_beta   89.856
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   200.446
_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  0.499  0.051  0.287  1.0
  V  V1  1  0.492  0.491  0.509  1.0
  Te  Te2  1  0.502  0.495  0.999  1.0
  Te  Te3  1  0.993  0.992  0.495  1.0
  W  W4  1  0.005  0.994  0.991  1.0
  O  O5  1  0.696  0.792  0.434  1.0
  O  O6  1  0.892  0.989  0.747  1.0
  O  O7  1  0.687  0.178  0.055  1.0
  O  O8  1  0.786  0.288  0.439  1.0
  O  O9  1  0.192  0.303  0.940  1.0
  O  O10  1  0.607  0.486  0.745  1.0
  O  O11  1  0.396  0.492  0.245  1.0
  O  O12  1  0.811  0.688  0.048  1.0
  O  O13  1  0.207  0.690  0.547  1.0
  O  O14  1  0.313  0.805  0.941  1.0
  O  O15  1  0.119  0.994  0.244  1.0
  O  O16  1  0.302  0.188  0.540  1.0
[/CIF]
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The material described by LiVWTe2O12 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(12), one O(3), one O(4), and one O(7) atom. V(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 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 27-36°. W(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form WO6 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 33-39°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. In the second Te site, Te(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. 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 V(1), and one Te(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one V(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one Te(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) 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(2) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Li(1), one V(1), and one Te(2) atom. is represented by the CIF card [CIF]
data_LiVTe2WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.138
_cell_length_b   5.286
_cell_length_c   7.389
_cell_angle_alpha   87.221
_cell_angle_beta   89.856
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   200.446
_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  0.499  0.051  0.287  1.0
  V  V1  1  0.492  0.491  0.509  1.0
  Te  Te2  1  0.502  0.495  0.999  1.0
  Te  Te3  1  0.993  0.992  0.495  1.0
  W  W4  1  0.005  0.994  0.991  1.0
  O  O5  1  0.696  0.792  0.434  1.0
  O  O6  1  0.892  0.989  0.747  1.0
  O  O7  1  0.687  0.178  0.055  1.0
  O  O8  1  0.786  0.288  0.439  1.0
  O  O9  1  0.192  0.303  0.940  1.0
  O  O10  1  0.607  0.486  0.745  1.0
  O  O11  1  0.396  0.492  0.245  1.0
  O  O12  1  0.811  0.688  0.048  1.0
  O  O13  1  0.207  0.690  0.547  1.0
  O  O14  1  0.313  0.805  0.941  1.0
  O  O15  1  0.119  0.994  0.244  1.0
  O  O16  1  0.302  0.188  0.540  1.0
[/CIF]
.