The material described by LiV3(TeO6)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(8), and one O(9) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(5), one O(7), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(4), and one O(8) atom. In the third V site, V(3) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(10), one O(3), one O(6), and one O(9) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(12), one O(7), and one O(9) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(1), one O(11), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Te(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one Te(2) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(1) atoms. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Te(2) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the seventh O site, O(6) is bonded in a single-bond geometry to one V(3) atom. In the eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Te(1) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to one Li(1) and one V(2) atom. In the tenth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(3), and one Te(1) atom. In the eleventh O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Li(1), one V(2), and one V(3) atom. In the twelfth O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.184
_cell_length_b   7.115
_cell_length_c   10.663
_cell_angle_alpha   92.116
_cell_angle_beta   93.277
_cell_angle_gamma   104.341
_symmetry_Int_Tables_number   1
_cell_volume   453.170
_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  0.791  0.761  0.109  1.0
  Li  Li1  1  0.209  0.239  0.891  1.0
  V  V2  1  0.383  0.806  0.582  1.0
  V  V3  1  0.614  0.229  0.081  1.0
  V  V4  1  0.386  0.771  0.919  1.0
  V  V5  1  0.660  0.214  0.753  1.0
  V  V6  1  0.617  0.194  0.418  1.0
  V  V7  1  0.340  0.786  0.247  1.0
  Te  Te8  1  0.164  0.221  0.593  1.0
  Te  Te9  1  0.864  0.819  0.788  1.0
  Te  Te10  1  0.836  0.779  0.407  1.0
  Te  Te11  1  0.136  0.181  0.212  1.0
  O  O12  1  0.091  0.904  0.210  1.0
  O  O13  1  0.483  0.843  0.746  1.0
  O  O14  1  0.378  0.881  0.407  1.0
  O  O15  1  0.294  0.222  0.066  1.0
  O  O16  1  0.706  0.778  0.934  1.0
  O  O17  1  0.206  0.595  0.576  1.0
  O  O18  1  0.179  0.570  0.244  1.0
  O  O19  1  0.794  0.405  0.424  1.0
  O  O20  1  0.849  0.052  0.405  1.0
  O  O21  1  0.151  0.948  0.595  1.0
  O  O22  1  0.272  0.542  0.907  1.0
  O  O23  1  0.909  0.096  0.790  1.0
  O  O24  1  0.517  0.157  0.254  1.0
  O  O25  1  0.821  0.430  0.756  1.0
  O  O26  1  0.622  0.119  0.593  1.0
  O  O27  1  0.728  0.458  0.093  1.0
  O  O28  1  0.626  0.724  0.266  1.0
  O  O29  1  0.420  0.841  0.082  1.0
  O  O30  1  0.852  0.125  0.117  1.0
  O  O31  1  0.148  0.875  0.883  1.0
  O  O32  1  0.374  0.276  0.734  1.0
  O  O33  1  0.358  0.269  0.461  1.0
  O  O34  1  0.642  0.731  0.539  1.0
  O  O35  1  0.580  0.159  0.918  1.0
[/CIF]
.
The material described by LiV3(TeO6)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(8), and one O(9) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(5), one O(7), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(4), and one O(8) atom. In the third V site, V(3) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(10), one O(3), one O(6), and one O(9) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(12), one O(7), and one O(9) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(1), one O(11), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Te(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one Te(2) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(1) atoms. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Te(2) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the seventh O site, O(6) is bonded in a single-bond geometry to one V(3) atom. In the eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Te(1) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to one Li(1) and one V(2) atom. In the tenth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(3), and one Te(1) atom. In the eleventh O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Li(1), one V(2), and one V(3) atom. In the twelfth O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.184
_cell_length_b   7.115
_cell_length_c   10.663
_cell_angle_alpha   92.116
_cell_angle_beta   93.277
_cell_angle_gamma   104.341
_symmetry_Int_Tables_number   1
_cell_volume   453.170
_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  0.791  0.761  0.109  1.0
  Li  Li1  1  0.209  0.239  0.891  1.0
  V  V2  1  0.383  0.806  0.582  1.0
  V  V3  1  0.614  0.229  0.081  1.0
  V  V4  1  0.386  0.771  0.919  1.0
  V  V5  1  0.660  0.214  0.753  1.0
  V  V6  1  0.617  0.194  0.418  1.0
  V  V7  1  0.340  0.786  0.247  1.0
  Te  Te8  1  0.164  0.221  0.593  1.0
  Te  Te9  1  0.864  0.819  0.788  1.0
  Te  Te10  1  0.836  0.779  0.407  1.0
  Te  Te11  1  0.136  0.181  0.212  1.0
  O  O12  1  0.091  0.904  0.210  1.0
  O  O13  1  0.483  0.843  0.746  1.0
  O  O14  1  0.378  0.881  0.407  1.0
  O  O15  1  0.294  0.222  0.066  1.0
  O  O16  1  0.706  0.778  0.934  1.0
  O  O17  1  0.206  0.595  0.576  1.0
  O  O18  1  0.179  0.570  0.244  1.0
  O  O19  1  0.794  0.405  0.424  1.0
  O  O20  1  0.849  0.052  0.405  1.0
  O  O21  1  0.151  0.948  0.595  1.0
  O  O22  1  0.272  0.542  0.907  1.0
  O  O23  1  0.909  0.096  0.790  1.0
  O  O24  1  0.517  0.157  0.254  1.0
  O  O25  1  0.821  0.430  0.756  1.0
  O  O26  1  0.622  0.119  0.593  1.0
  O  O27  1  0.728  0.458  0.093  1.0
  O  O28  1  0.626  0.724  0.266  1.0
  O  O29  1  0.420  0.841  0.082  1.0
  O  O30  1  0.852  0.125  0.117  1.0
  O  O31  1  0.148  0.875  0.883  1.0
  O  O32  1  0.374  0.276  0.734  1.0
  O  O33  1  0.358  0.269  0.461  1.0
  O  O34  1  0.642  0.731  0.539  1.0
  O  O35  1  0.580  0.159  0.918  1.0
[/CIF]
.