The compound described by LiVB2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five 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 B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_LiVB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.331
_cell_length_b   7.331
_cell_length_c   9.829
_cell_angle_alpha   69.628
_cell_angle_beta   69.628
_cell_angle_gamma   90.880
_symmetry_Int_Tables_number   1
_cell_volume   458.619
_cell_formula_units_Z   4
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  0.840  0.160  0.750  1.0
  Li  Li1  1  0.380  0.620  0.750  1.0
  Li  Li2  1  0.620  0.380  0.250  1.0
  Li  Li3  1  0.160  0.840  0.250  1.0
  V  V4  1  0.959  0.643  0.650  1.0
  V  V5  1  0.643  0.959  0.150  1.0
  V  V6  1  0.357  0.041  0.850  1.0
  V  V7  1  0.041  0.357  0.350  1.0
  B  B8  1  0.761  0.772  0.904  1.0
  B  B9  1  0.736  0.402  0.975  1.0
  B  B10  1  0.772  0.761  0.404  1.0
  B  B11  1  0.402  0.736  0.475  1.0
  B  B12  1  0.598  0.264  0.525  1.0
  B  B13  1  0.228  0.239  0.596  1.0
  B  B14  1  0.264  0.598  0.025  1.0
  B  B15  1  0.239  0.228  0.096  1.0
  O  O16  1  0.704  0.919  0.959  1.0
  O  O17  1  0.854  0.825  0.747  1.0
  O  O18  1  0.919  0.704  0.459  1.0
  O  O19  1  0.814  0.403  0.828  1.0
  O  O20  1  0.334  0.764  0.891  1.0
  O  O21  1  0.825  0.854  0.247  1.0
  O  O22  1  0.575  0.718  0.511  1.0
  O  O23  1  0.282  0.425  0.989  1.0
  O  O24  1  0.403  0.814  0.328  1.0
  O  O25  1  0.764  0.334  0.391  1.0
  O  O26  1  0.236  0.666  0.609  1.0
  O  O27  1  0.597  0.186  0.672  1.0
  O  O28  1  0.718  0.575  0.011  1.0
  O  O29  1  0.425  0.282  0.489  1.0
  O  O30  1  0.175  0.146  0.753  1.0
  O  O31  1  0.666  0.236  0.109  1.0
  O  O32  1  0.186  0.597  0.172  1.0
  O  O33  1  0.081  0.296  0.541  1.0
  O  O34  1  0.146  0.175  0.253  1.0
  O  O35  1  0.296  0.081  0.041  1.0
[/CIF]
.
The compound described by LiVB2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five 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 B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_LiVB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.331
_cell_length_b   7.331
_cell_length_c   9.829
_cell_angle_alpha   69.628
_cell_angle_beta   69.628
_cell_angle_gamma   90.880
_symmetry_Int_Tables_number   1
_cell_volume   458.619
_cell_formula_units_Z   4
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  0.840  0.160  0.750  1.0
  Li  Li1  1  0.380  0.620  0.750  1.0
  Li  Li2  1  0.620  0.380  0.250  1.0
  Li  Li3  1  0.160  0.840  0.250  1.0
  V  V4  1  0.959  0.643  0.650  1.0
  V  V5  1  0.643  0.959  0.150  1.0
  V  V6  1  0.357  0.041  0.850  1.0
  V  V7  1  0.041  0.357  0.350  1.0
  B  B8  1  0.761  0.772  0.904  1.0
  B  B9  1  0.736  0.402  0.975  1.0
  B  B10  1  0.772  0.761  0.404  1.0
  B  B11  1  0.402  0.736  0.475  1.0
  B  B12  1  0.598  0.264  0.525  1.0
  B  B13  1  0.228  0.239  0.596  1.0
  B  B14  1  0.264  0.598  0.025  1.0
  B  B15  1  0.239  0.228  0.096  1.0
  O  O16  1  0.704  0.919  0.959  1.0
  O  O17  1  0.854  0.825  0.747  1.0
  O  O18  1  0.919  0.704  0.459  1.0
  O  O19  1  0.814  0.403  0.828  1.0
  O  O20  1  0.334  0.764  0.891  1.0
  O  O21  1  0.825  0.854  0.247  1.0
  O  O22  1  0.575  0.718  0.511  1.0
  O  O23  1  0.282  0.425  0.989  1.0
  O  O24  1  0.403  0.814  0.328  1.0
  O  O25  1  0.764  0.334  0.391  1.0
  O  O26  1  0.236  0.666  0.609  1.0
  O  O27  1  0.597  0.186  0.672  1.0
  O  O28  1  0.718  0.575  0.011  1.0
  O  O29  1  0.425  0.282  0.489  1.0
  O  O30  1  0.175  0.146  0.753  1.0
  O  O31  1  0.666  0.236  0.109  1.0
  O  O32  1  0.186  0.597  0.172  1.0
  O  O33  1  0.081  0.296  0.541  1.0
  O  O34  1  0.146  0.175  0.253  1.0
  O  O35  1  0.296  0.081  0.041  1.0
[/CIF]
.