The structure described by Li4VO(PO4)2 crystallizes in the orthorhombic Cmme space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a distorted square co-planar geometry to four equivalent O(1) and four equivalent O(3) atoms. V(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one V(1), and one P(1) atom. In the second O site, O(4) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted corner-sharing OLi2V2 tetrahedra. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(3), and one P(1) atom. In the fourth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4VP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.074
_cell_length_b   8.074
_cell_length_c   7.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.258
_symmetry_Int_Tables_number   1
_cell_volume   359.964
_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  0.385  0.615  0.228  1.0
  Li  Li1  1  0.885  0.115  0.772  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.615  0.385  0.772  1.0
  Li  Li5  1  0.115  0.885  0.228  1.0
  Li  Li6  1  0.750  0.750  0.500  1.0
  Li  Li7  1  0.250  0.250  0.500  1.0
  V  V8  1  0.500  0.000  0.500  1.0
  V  V9  1  0.000  0.500  0.500  1.0
  P  P10  1  0.388  0.612  0.771  1.0
  P  P11  1  0.888  0.112  0.229  1.0
  P  P12  1  0.612  0.388  0.229  1.0
  P  P13  1  0.112  0.888  0.771  1.0
  O  O14  1  0.989  0.011  0.283  1.0
  O  O15  1  0.489  0.511  0.717  1.0
  O  O16  1  0.857  0.143  0.026  1.0
  O  O17  1  0.357  0.643  0.974  1.0
  O  O18  1  0.040  0.345  0.318  1.0
  O  O19  1  0.155  0.460  0.682  1.0
  O  O20  1  0.655  0.960  0.318  1.0
  O  O21  1  0.540  0.845  0.682  1.0
  O  O22  1  0.750  0.250  0.598  1.0
  O  O23  1  0.250  0.750  0.402  1.0
  O  O24  1  0.845  0.540  0.318  1.0
  O  O25  1  0.960  0.655  0.682  1.0
  O  O26  1  0.345  0.040  0.682  1.0
  O  O27  1  0.460  0.155  0.318  1.0
  O  O28  1  0.143  0.857  0.974  1.0
  O  O29  1  0.643  0.357  0.026  1.0
  O  O30  1  0.511  0.489  0.283  1.0
  O  O31  1  0.011  0.989  0.717  1.0
[/CIF]
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The structure described by Li4VO(PO4)2 crystallizes in the orthorhombic Cmme space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a distorted square co-planar geometry to four equivalent O(1) and four equivalent O(3) atoms. V(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one V(1), and one P(1) atom. In the second O site, O(4) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted corner-sharing OLi2V2 tetrahedra. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(3), and one P(1) atom. In the fourth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4VP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.074
_cell_length_b   8.074
_cell_length_c   7.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.258
_symmetry_Int_Tables_number   1
_cell_volume   359.964
_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  0.385  0.615  0.228  1.0
  Li  Li1  1  0.885  0.115  0.772  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.615  0.385  0.772  1.0
  Li  Li5  1  0.115  0.885  0.228  1.0
  Li  Li6  1  0.750  0.750  0.500  1.0
  Li  Li7  1  0.250  0.250  0.500  1.0
  V  V8  1  0.500  0.000  0.500  1.0
  V  V9  1  0.000  0.500  0.500  1.0
  P  P10  1  0.388  0.612  0.771  1.0
  P  P11  1  0.888  0.112  0.229  1.0
  P  P12  1  0.612  0.388  0.229  1.0
  P  P13  1  0.112  0.888  0.771  1.0
  O  O14  1  0.989  0.011  0.283  1.0
  O  O15  1  0.489  0.511  0.717  1.0
  O  O16  1  0.857  0.143  0.026  1.0
  O  O17  1  0.357  0.643  0.974  1.0
  O  O18  1  0.040  0.345  0.318  1.0
  O  O19  1  0.155  0.460  0.682  1.0
  O  O20  1  0.655  0.960  0.318  1.0
  O  O21  1  0.540  0.845  0.682  1.0
  O  O22  1  0.750  0.250  0.598  1.0
  O  O23  1  0.250  0.750  0.402  1.0
  O  O24  1  0.845  0.540  0.318  1.0
  O  O25  1  0.960  0.655  0.682  1.0
  O  O26  1  0.345  0.040  0.682  1.0
  O  O27  1  0.460  0.155  0.318  1.0
  O  O28  1  0.143  0.857  0.974  1.0
  O  O29  1  0.643  0.357  0.026  1.0
  O  O30  1  0.511  0.489  0.283  1.0
  O  O31  1  0.011  0.989  0.717  1.0
[/CIF]
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