The material structure described by LiVP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a linear geometry to two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a distorted linear geometry to two equivalent O(6) atoms. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one O(3), one O(4), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.936
_cell_length_b   6.411
_cell_length_c   6.167
_cell_angle_alpha   109.396
_cell_angle_beta   103.699
_cell_angle_gamma   98.961
_symmetry_Int_Tables_number   1
_cell_volume   277.953
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.368  0.228  0.680  1.0
  V  V3  1  0.632  0.772  0.320  1.0
  P  P4  1  0.821  0.211  0.546  1.0
  P  P5  1  0.448  0.317  0.230  1.0
  P  P6  1  0.552  0.683  0.770  1.0
  P  P7  1  0.179  0.789  0.454  1.0
  O  O8  1  0.785  0.037  0.384  1.0
  O  O9  1  0.695  0.194  0.717  1.0
  O  O10  1  0.409  0.205  0.998  1.0
  O  O11  1  0.276  0.208  0.325  1.0
  O  O12  1  0.723  0.344  0.397  1.0
  O  O13  1  0.089  0.316  0.686  1.0
  O  O14  1  0.579  0.496  0.773  1.0
  O  O15  1  0.421  0.504  0.227  1.0
  O  O16  1  0.911  0.684  0.314  1.0
  O  O17  1  0.277  0.656  0.603  1.0
  O  O18  1  0.724  0.792  0.675  1.0
  O  O19  1  0.591  0.795  0.002  1.0
  O  O20  1  0.305  0.806  0.283  1.0
  O  O21  1  0.215  0.963  0.616  1.0
[/CIF]
.
The material structure described by LiVP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a linear geometry to two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a distorted linear geometry to two equivalent O(6) atoms. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one O(3), one O(4), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.936
_cell_length_b   6.411
_cell_length_c   6.167
_cell_angle_alpha   109.396
_cell_angle_beta   103.699
_cell_angle_gamma   98.961
_symmetry_Int_Tables_number   1
_cell_volume   277.953
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.368  0.228  0.680  1.0
  V  V3  1  0.632  0.772  0.320  1.0
  P  P4  1  0.821  0.211  0.546  1.0
  P  P5  1  0.448  0.317  0.230  1.0
  P  P6  1  0.552  0.683  0.770  1.0
  P  P7  1  0.179  0.789  0.454  1.0
  O  O8  1  0.785  0.037  0.384  1.0
  O  O9  1  0.695  0.194  0.717  1.0
  O  O10  1  0.409  0.205  0.998  1.0
  O  O11  1  0.276  0.208  0.325  1.0
  O  O12  1  0.723  0.344  0.397  1.0
  O  O13  1  0.089  0.316  0.686  1.0
  O  O14  1  0.579  0.496  0.773  1.0
  O  O15  1  0.421  0.504  0.227  1.0
  O  O16  1  0.911  0.684  0.314  1.0
  O  O17  1  0.277  0.656  0.603  1.0
  O  O18  1  0.724  0.792  0.675  1.0
  O  O19  1  0.591  0.795  0.002  1.0
  O  O20  1  0.305  0.806  0.283  1.0
  O  O21  1  0.215  0.963  0.616  1.0
[/CIF]
.