The compound described by LiV(O4I)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share edges with two equivalent V(1)O6 octahedra. V(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted VO6 octahedra that share edges with two equivalent Li(1)O6 octahedra. There are eight 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 I(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1) and one I(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one I(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one I(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(1) and one V(1) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Li(1) and one V(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one I(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(8) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(IO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.316
_cell_length_b   10.092
_cell_length_c   13.812
_cell_angle_alpha   61.967
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   654.104
_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  0.234  0.763  0.436  1.0
  Li  Li1  1  0.734  0.237  0.064  1.0
  Li  Li2  1  0.766  0.237  0.564  1.0
  Li  Li3  1  0.266  0.763  0.936  1.0
  V  V4  1  0.278  0.267  0.950  1.0
  V  V5  1  0.778  0.733  0.550  1.0
  V  V6  1  0.222  0.267  0.450  1.0
  V  V7  1  0.722  0.733  0.050  1.0
  I  I8  1  0.183  0.925  0.169  1.0
  I  I9  1  0.695  0.583  0.329  1.0
  I  I10  1  0.805  0.583  0.829  1.0
  I  I11  1  0.683  0.075  0.331  1.0
  I  I12  1  0.317  0.925  0.669  1.0
  I  I13  1  0.817  0.075  0.831  1.0
  I  I14  1  0.305  0.417  0.671  1.0
  I  I15  1  0.195  0.417  0.171  1.0
  O  O16  1  0.413  0.607  0.578  1.0
  O  O17  1  0.919  0.306  0.177  1.0
  O  O18  1  0.928  0.075  0.707  1.0
  O  O19  1  0.428  0.925  0.793  1.0
  O  O20  1  0.581  0.306  0.677  1.0
  O  O21  1  0.443  0.115  0.564  1.0
  O  O22  1  0.871  0.574  0.697  1.0
  O  O23  1  0.557  0.885  0.436  1.0
  O  O24  1  0.943  0.885  0.936  1.0
  O  O25  1  0.980  0.153  0.469  1.0
  O  O26  1  0.880  0.642  0.481  1.0
  O  O27  1  0.923  0.810  0.160  1.0
  O  O28  1  0.087  0.607  0.078  1.0
  O  O29  1  0.423  0.190  0.340  1.0
  O  O30  1  0.587  0.393  0.422  1.0
  O  O31  1  0.629  0.574  0.197  1.0
  O  O32  1  0.081  0.694  0.823  1.0
  O  O33  1  0.913  0.393  0.922  1.0
  O  O34  1  0.129  0.426  0.303  1.0
  O  O35  1  0.520  0.153  0.969  1.0
  O  O36  1  0.371  0.426  0.803  1.0
  O  O37  1  0.077  0.190  0.840  1.0
  O  O38  1  0.572  0.075  0.207  1.0
  O  O39  1  0.020  0.847  0.531  1.0
  O  O40  1  0.620  0.642  0.981  1.0
  O  O41  1  0.072  0.925  0.293  1.0
  O  O42  1  0.057  0.115  0.064  1.0
  O  O43  1  0.577  0.810  0.660  1.0
  O  O44  1  0.480  0.847  0.031  1.0
  O  O45  1  0.120  0.358  0.519  1.0
  O  O46  1  0.419  0.694  0.323  1.0
  O  O47  1  0.380  0.358  0.019  1.0
[/CIF]
.
The compound described by LiV(O4I)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share edges with two equivalent V(1)O6 octahedra. V(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted VO6 octahedra that share edges with two equivalent Li(1)O6 octahedra. There are eight 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 I(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1) and one I(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one I(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one I(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(1) and one V(1) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Li(1) and one V(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one I(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(8) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(IO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.316
_cell_length_b   10.092
_cell_length_c   13.812
_cell_angle_alpha   61.967
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   654.104
_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  0.234  0.763  0.436  1.0
  Li  Li1  1  0.734  0.237  0.064  1.0
  Li  Li2  1  0.766  0.237  0.564  1.0
  Li  Li3  1  0.266  0.763  0.936  1.0
  V  V4  1  0.278  0.267  0.950  1.0
  V  V5  1  0.778  0.733  0.550  1.0
  V  V6  1  0.222  0.267  0.450  1.0
  V  V7  1  0.722  0.733  0.050  1.0
  I  I8  1  0.183  0.925  0.169  1.0
  I  I9  1  0.695  0.583  0.329  1.0
  I  I10  1  0.805  0.583  0.829  1.0
  I  I11  1  0.683  0.075  0.331  1.0
  I  I12  1  0.317  0.925  0.669  1.0
  I  I13  1  0.817  0.075  0.831  1.0
  I  I14  1  0.305  0.417  0.671  1.0
  I  I15  1  0.195  0.417  0.171  1.0
  O  O16  1  0.413  0.607  0.578  1.0
  O  O17  1  0.919  0.306  0.177  1.0
  O  O18  1  0.928  0.075  0.707  1.0
  O  O19  1  0.428  0.925  0.793  1.0
  O  O20  1  0.581  0.306  0.677  1.0
  O  O21  1  0.443  0.115  0.564  1.0
  O  O22  1  0.871  0.574  0.697  1.0
  O  O23  1  0.557  0.885  0.436  1.0
  O  O24  1  0.943  0.885  0.936  1.0
  O  O25  1  0.980  0.153  0.469  1.0
  O  O26  1  0.880  0.642  0.481  1.0
  O  O27  1  0.923  0.810  0.160  1.0
  O  O28  1  0.087  0.607  0.078  1.0
  O  O29  1  0.423  0.190  0.340  1.0
  O  O30  1  0.587  0.393  0.422  1.0
  O  O31  1  0.629  0.574  0.197  1.0
  O  O32  1  0.081  0.694  0.823  1.0
  O  O33  1  0.913  0.393  0.922  1.0
  O  O34  1  0.129  0.426  0.303  1.0
  O  O35  1  0.520  0.153  0.969  1.0
  O  O36  1  0.371  0.426  0.803  1.0
  O  O37  1  0.077  0.190  0.840  1.0
  O  O38  1  0.572  0.075  0.207  1.0
  O  O39  1  0.020  0.847  0.531  1.0
  O  O40  1  0.620  0.642  0.981  1.0
  O  O41  1  0.072  0.925  0.293  1.0
  O  O42  1  0.057  0.115  0.064  1.0
  O  O43  1  0.577  0.810  0.660  1.0
  O  O44  1  0.480  0.847  0.031  1.0
  O  O45  1  0.120  0.358  0.519  1.0
  O  O46  1  0.419  0.694  0.323  1.0
  O  O47  1  0.380  0.358  0.019  1.0
[/CIF]
.