The material described by LiV6O15 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(6), one O(8), and two equivalent O(14) atoms to form corner-sharing LiO4 tetrahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(9), and two equivalent O(12) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(15), one O(9), and two equivalent O(4) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(13) atoms. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and two equivalent O(15) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(8), and two equivalent O(1) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), and two equivalent O(3) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(1), one V(4), and two equivalent V(5) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(6) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one V(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Li(1) and one V(5) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one V(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(1) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(6) and two equivalent V(3) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(2) atom. In the fifteenth O site, O(15) is bonded to one V(2), one V(5), and two equivalent V(4) atoms to form distorted corner-sharing OV4 trigonal pyramids. is represented by the CIF card [CIF]
data_LiV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.157
_cell_length_b   8.157
_cell_length_c   10.310
_cell_angle_alpha   70.690
_cell_angle_beta   109.311
_cell_angle_gamma   154.053
_symmetry_Int_Tables_number   1
_cell_volume   282.318
_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  0.438  0.562  0.675  1.0
  V  V1  1  0.115  0.886  0.108  1.0
  V  V2  1  0.880  0.120  0.886  1.0
  V  V3  1  0.277  0.723  0.399  1.0
  V  V4  1  0.343  0.658  0.109  1.0
  V  V5  1  0.666  0.335  0.896  1.0
  V  V6  1  0.709  0.291  0.588  1.0
  O  O7  1  0.184  0.817  0.943  1.0
  O  O8  1  0.117  0.883  0.269  1.0
  O  O9  1  0.241  0.760  0.573  1.0
  O  O10  1  0.368  0.632  0.938  1.0
  O  O11  1  0.266  0.735  0.219  1.0
  O  O12  1  0.385  0.615  0.473  1.0
  O  O13  1  0.439  0.562  0.227  1.0
  O  O14  1  0.566  0.434  0.781  1.0
  O  O15  1  0.003  0.997  0.008  1.0
  O  O16  1  0.603  0.398  0.532  1.0
  O  O17  1  0.737  0.264  0.780  1.0
  O  O18  1  0.638  0.362  0.069  1.0
  O  O19  1  0.749  0.252  0.422  1.0
  O  O20  1  0.893  0.107  0.729  1.0
  O  O21  1  0.817  0.184  0.057  1.0
[/CIF]
.
The material described by LiV6O15 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(6), one O(8), and two equivalent O(14) atoms to form corner-sharing LiO4 tetrahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(9), and two equivalent O(12) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(15), one O(9), and two equivalent O(4) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(13) atoms. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and two equivalent O(15) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(8), and two equivalent O(1) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), and two equivalent O(3) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(1), one V(4), and two equivalent V(5) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(6) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one V(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Li(1) and one V(5) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one V(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(1) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(6) and two equivalent V(3) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(2) atom. In the fifteenth O site, O(15) is bonded to one V(2), one V(5), and two equivalent V(4) atoms to form distorted corner-sharing OV4 trigonal pyramids. is represented by the CIF card [CIF]
data_LiV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.157
_cell_length_b   8.157
_cell_length_c   10.310
_cell_angle_alpha   70.690
_cell_angle_beta   109.311
_cell_angle_gamma   154.053
_symmetry_Int_Tables_number   1
_cell_volume   282.318
_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  0.438  0.562  0.675  1.0
  V  V1  1  0.115  0.886  0.108  1.0
  V  V2  1  0.880  0.120  0.886  1.0
  V  V3  1  0.277  0.723  0.399  1.0
  V  V4  1  0.343  0.658  0.109  1.0
  V  V5  1  0.666  0.335  0.896  1.0
  V  V6  1  0.709  0.291  0.588  1.0
  O  O7  1  0.184  0.817  0.943  1.0
  O  O8  1  0.117  0.883  0.269  1.0
  O  O9  1  0.241  0.760  0.573  1.0
  O  O10  1  0.368  0.632  0.938  1.0
  O  O11  1  0.266  0.735  0.219  1.0
  O  O12  1  0.385  0.615  0.473  1.0
  O  O13  1  0.439  0.562  0.227  1.0
  O  O14  1  0.566  0.434  0.781  1.0
  O  O15  1  0.003  0.997  0.008  1.0
  O  O16  1  0.603  0.398  0.532  1.0
  O  O17  1  0.737  0.264  0.780  1.0
  O  O18  1  0.638  0.362  0.069  1.0
  O  O19  1  0.749  0.252  0.422  1.0
  O  O20  1  0.893  0.107  0.729  1.0
  O  O21  1  0.817  0.184  0.057  1.0
[/CIF]
.