The compound described by LiVPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.959
_cell_length_b   9.908
_cell_length_c   7.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.475
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   354.556
_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  0.200  0.170  0.513  1.0
  Li  Li1  1  0.300  0.670  0.987  1.0
  Li  Li2  1  0.700  0.330  0.013  1.0
  Li  Li3  1  0.800  0.830  0.487  1.0
  V  V4  1  0.270  0.614  0.484  1.0
  V  V5  1  0.770  0.886  0.984  1.0
  V  V6  1  0.229  0.114  0.016  1.0
  V  V7  1  0.729  0.386  0.516  1.0
  P  P8  1  0.192  0.405  0.232  1.0
  P  P9  1  0.308  0.905  0.268  1.0
  P  P10  1  0.692  0.095  0.732  1.0
  P  P11  1  0.808  0.595  0.768  1.0
  O  O12  1  0.113  0.627  0.760  1.0
  O  O13  1  0.387  0.127  0.740  1.0
  O  O14  1  0.613  0.873  0.260  1.0
  O  O15  1  0.887  0.373  0.240  1.0
  O  O16  1  0.197  0.880  0.060  1.0
  O  O17  1  0.303  0.380  0.440  1.0
  O  O18  1  0.697  0.620  0.560  1.0
  O  O19  1  0.803  0.120  0.940  1.0
  O  O20  1  0.173  0.814  0.413  1.0
  O  O21  1  0.327  0.314  0.087  1.0
  O  O22  1  0.673  0.685  0.913  1.0
  O  O23  1  0.827  0.186  0.587  1.0
  O  O24  1  0.247  0.056  0.301  1.0
  O  O25  1  0.253  0.556  0.199  1.0
  O  O26  1  0.747  0.444  0.801  1.0
  O  O27  1  0.753  0.944  0.699  1.0
[/CIF]
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The compound described by LiVPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.959
_cell_length_b   9.908
_cell_length_c   7.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.475
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   354.556
_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  0.200  0.170  0.513  1.0
  Li  Li1  1  0.300  0.670  0.987  1.0
  Li  Li2  1  0.700  0.330  0.013  1.0
  Li  Li3  1  0.800  0.830  0.487  1.0
  V  V4  1  0.270  0.614  0.484  1.0
  V  V5  1  0.770  0.886  0.984  1.0
  V  V6  1  0.229  0.114  0.016  1.0
  V  V7  1  0.729  0.386  0.516  1.0
  P  P8  1  0.192  0.405  0.232  1.0
  P  P9  1  0.308  0.905  0.268  1.0
  P  P10  1  0.692  0.095  0.732  1.0
  P  P11  1  0.808  0.595  0.768  1.0
  O  O12  1  0.113  0.627  0.760  1.0
  O  O13  1  0.387  0.127  0.740  1.0
  O  O14  1  0.613  0.873  0.260  1.0
  O  O15  1  0.887  0.373  0.240  1.0
  O  O16  1  0.197  0.880  0.060  1.0
  O  O17  1  0.303  0.380  0.440  1.0
  O  O18  1  0.697  0.620  0.560  1.0
  O  O19  1  0.803  0.120  0.940  1.0
  O  O20  1  0.173  0.814  0.413  1.0
  O  O21  1  0.327  0.314  0.087  1.0
  O  O22  1  0.673  0.685  0.913  1.0
  O  O23  1  0.827  0.186  0.587  1.0
  O  O24  1  0.247  0.056  0.301  1.0
  O  O25  1  0.253  0.556  0.199  1.0
  O  O26  1  0.747  0.444  0.801  1.0
  O  O27  1  0.753  0.944  0.699  1.0
[/CIF]
.