The crystal structure described by Li3V(TeO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(5), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(12), and one O(3) atom. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(3), one O(5), and one O(8) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and one O(9) atom. In the fourth Te site, Te(4) is bonded in a 3-coordinate geometry to one O(10), one O(5), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one V(1), one Te(2), and one Te(3) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Te(1), and one Te(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one Te(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one V(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Te(1), and one Te(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Te(2), and one Te(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one V(1) and one Te(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(1) and one Te(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one V(1), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Te(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one V(1), one Te(1), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Te(2), and one Te(3) atom. is represented by the CIF file [CIF]
data_Li3V(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   6.229
_cell_length_c   8.071
_cell_angle_alpha   95.299
_cell_angle_beta   91.941
_cell_angle_gamma   95.983
_symmetry_Int_Tables_number   1
_cell_volume   274.431
_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  0.467  0.985  0.774  1.0
  Li  Li1  1  0.992  0.409  0.778  1.0
  Li  Li2  1  0.477  0.993  0.275  1.0
  V  V3  1  0.005  0.371  0.293  1.0
  Te  Te4  1  0.012  0.981  0.990  1.0
  Te  Te5  1  0.494  0.499  0.504  1.0
  Te  Te6  1  0.949  0.005  0.517  1.0
  Te  Te7  1  0.537  0.505  0.949  1.0
  O  O8  1  0.325  0.228  0.399  1.0
  O  O9  1  0.116  0.054  0.772  1.0
  O  O10  1  0.315  0.892  0.047  1.0
  O  O11  1  0.229  0.618  0.394  1.0
  O  O12  1  0.825  0.673  0.875  1.0
  O  O13  1  0.339  0.534  0.745  1.0
  O  O14  1  0.761  0.521  0.272  1.0
  O  O15  1  0.114  0.332  0.092  1.0
  O  O16  1  0.908  0.311  0.545  1.0
  O  O17  1  0.660  0.248  0.873  1.0
  O  O18  1  0.852  0.081  0.276  1.0
  O  O19  1  0.622  0.899  0.559  1.0
[/CIF]
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The crystal structure described by Li3V(TeO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(5), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(12), and one O(3) atom. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(3), one O(5), and one O(8) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and one O(9) atom. In the fourth Te site, Te(4) is bonded in a 3-coordinate geometry to one O(10), one O(5), and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one V(1), one Te(2), and one Te(3) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Te(1), and one Te(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one Te(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one V(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Te(1), and one Te(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Te(2), and one Te(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one V(1) and one Te(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(1) and one Te(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one V(1), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Te(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one V(1), one Te(1), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Te(2), and one Te(3) atom. is represented by the CIF file [CIF]
data_Li3V(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   6.229
_cell_length_c   8.071
_cell_angle_alpha   95.299
_cell_angle_beta   91.941
_cell_angle_gamma   95.983
_symmetry_Int_Tables_number   1
_cell_volume   274.431
_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  0.467  0.985  0.774  1.0
  Li  Li1  1  0.992  0.409  0.778  1.0
  Li  Li2  1  0.477  0.993  0.275  1.0
  V  V3  1  0.005  0.371  0.293  1.0
  Te  Te4  1  0.012  0.981  0.990  1.0
  Te  Te5  1  0.494  0.499  0.504  1.0
  Te  Te6  1  0.949  0.005  0.517  1.0
  Te  Te7  1  0.537  0.505  0.949  1.0
  O  O8  1  0.325  0.228  0.399  1.0
  O  O9  1  0.116  0.054  0.772  1.0
  O  O10  1  0.315  0.892  0.047  1.0
  O  O11  1  0.229  0.618  0.394  1.0
  O  O12  1  0.825  0.673  0.875  1.0
  O  O13  1  0.339  0.534  0.745  1.0
  O  O14  1  0.761  0.521  0.272  1.0
  O  O15  1  0.114  0.332  0.092  1.0
  O  O16  1  0.908  0.311  0.545  1.0
  O  O17  1  0.660  0.248  0.873  1.0
  O  O18  1  0.852  0.081  0.276  1.0
  O  O19  1  0.622  0.899  0.559  1.0
[/CIF]
.