The compound described by Li2V6O15 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(8) and two equivalent O(4) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), and three equivalent O(2) atoms. In the second V site, V(2) is bonded to one O(1), one O(2), one O(6), one O(8), and two equivalent O(3) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(6), one O(7), and three equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(2) atoms. In the second O site, O(2) is bonded to one V(2) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. is represented by the CIF card [CIF]
data_Li2V6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.672
_cell_length_b   10.401
_cell_length_c   8.094
_cell_angle_alpha   112.343
_cell_angle_beta   76.888
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   277.163
_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  0.008  0.681  0.985  1.0
  Li  Li1  1  0.992  0.319  0.015  1.0
  V  V2  1  0.662  0.104  0.675  1.0
  V  V3  1  0.338  0.896  0.325  1.0
  V  V4  1  0.122  0.888  0.757  1.0
  V  V5  1  0.878  0.112  0.243  1.0
  V  V6  1  0.289  0.586  0.423  1.0
  V  V7  1  0.711  0.414  0.577  1.0
  O  O8  1  0.000  0.000  1.000  1.0
  O  O9  1  0.186  0.040  0.628  1.0
  O  O10  1  0.814  0.960  0.372  1.0
  O  O11  1  0.367  0.073  0.267  1.0
  O  O12  1  0.633  0.927  0.733  1.0
  O  O13  1  0.558  0.235  0.885  1.0
  O  O14  1  0.443  0.765  0.115  1.0
  O  O15  1  0.241  0.431  0.519  1.0
  O  O16  1  0.759  0.569  0.481  1.0
  O  O17  1  0.734  0.230  0.533  1.0
  O  O18  1  0.266  0.770  0.467  1.0
  O  O19  1  0.401  0.509  0.198  1.0
  O  O20  1  0.599  0.491  0.802  1.0
  O  O21  1  0.884  0.268  0.232  1.0
  O  O22  1  0.116  0.732  0.769  1.0
[/CIF]
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The compound described by Li2V6O15 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(8) and two equivalent O(4) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), and three equivalent O(2) atoms. In the second V site, V(2) is bonded to one O(1), one O(2), one O(6), one O(8), and two equivalent O(3) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(6), one O(7), and three equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(2) atoms. In the second O site, O(2) is bonded to one V(2) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. is represented by the CIF card [CIF]
data_Li2V6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.672
_cell_length_b   10.401
_cell_length_c   8.094
_cell_angle_alpha   112.343
_cell_angle_beta   76.888
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   277.163
_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  0.008  0.681  0.985  1.0
  Li  Li1  1  0.992  0.319  0.015  1.0
  V  V2  1  0.662  0.104  0.675  1.0
  V  V3  1  0.338  0.896  0.325  1.0
  V  V4  1  0.122  0.888  0.757  1.0
  V  V5  1  0.878  0.112  0.243  1.0
  V  V6  1  0.289  0.586  0.423  1.0
  V  V7  1  0.711  0.414  0.577  1.0
  O  O8  1  0.000  0.000  1.000  1.0
  O  O9  1  0.186  0.040  0.628  1.0
  O  O10  1  0.814  0.960  0.372  1.0
  O  O11  1  0.367  0.073  0.267  1.0
  O  O12  1  0.633  0.927  0.733  1.0
  O  O13  1  0.558  0.235  0.885  1.0
  O  O14  1  0.443  0.765  0.115  1.0
  O  O15  1  0.241  0.431  0.519  1.0
  O  O16  1  0.759  0.569  0.481  1.0
  O  O17  1  0.734  0.230  0.533  1.0
  O  O18  1  0.266  0.770  0.467  1.0
  O  O19  1  0.401  0.509  0.198  1.0
  O  O20  1  0.599  0.491  0.802  1.0
  O  O21  1  0.884  0.268  0.232  1.0
  O  O22  1  0.116  0.732  0.769  1.0
[/CIF]
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