The material described by Li2VFe(PO4)2 is Ilmenite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-68°. V(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-66°. Fe(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-68°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2VFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.763
_cell_length_b   10.482
_cell_length_c   6.090
_cell_angle_alpha   90.002
_cell_angle_beta   89.997
_cell_angle_gamma   89.838
_symmetry_Int_Tables_number   1
_cell_volume   304.061
_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  1.000  1.000  1.0
  Li  Li1  1  0.000  1.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.516  0.776  0.250  1.0
  V  V5  1  0.485  0.224  0.750  1.0
  Fe  Fe6  1  0.974  0.278  0.250  1.0
  Fe  Fe7  1  0.026  0.722  0.750  1.0
  P  P8  1  0.411  0.093  0.250  1.0
  P  P9  1  0.589  0.907  0.750  1.0
  P  P10  1  0.919  0.408  0.750  1.0
  P  P11  1  0.081  0.592  0.250  1.0
  O  O12  1  0.710  0.045  0.750  1.0
  O  O13  1  0.290  0.955  0.250  1.0
  O  O14  1  0.733  0.097  0.250  1.0
  O  O15  1  0.267  0.902  0.750  1.0
  O  O16  1  0.242  0.405  0.750  1.0
  O  O17  1  0.758  0.595  0.250  1.0
  O  O18  1  0.206  0.456  0.250  1.0
  O  O19  1  0.794  0.545  0.750  1.0
  O  O20  1  0.274  0.162  0.047  1.0
  O  O21  1  0.274  0.162  0.453  1.0
  O  O22  1  0.726  0.838  0.547  1.0
  O  O23  1  0.726  0.838  0.953  1.0
  O  O24  1  0.787  0.337  0.547  1.0
  O  O25  1  0.787  0.337  0.953  1.0
  O  O26  1  0.213  0.663  0.047  1.0
  O  O27  1  0.213  0.663  0.453  1.0
[/CIF]
.
The material described by Li2VFe(PO4)2 is Ilmenite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-68°. V(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-66°. Fe(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-68°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2VFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.763
_cell_length_b   10.482
_cell_length_c   6.090
_cell_angle_alpha   90.002
_cell_angle_beta   89.997
_cell_angle_gamma   89.838
_symmetry_Int_Tables_number   1
_cell_volume   304.061
_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  1.000  1.000  1.0
  Li  Li1  1  0.000  1.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.516  0.776  0.250  1.0
  V  V5  1  0.485  0.224  0.750  1.0
  Fe  Fe6  1  0.974  0.278  0.250  1.0
  Fe  Fe7  1  0.026  0.722  0.750  1.0
  P  P8  1  0.411  0.093  0.250  1.0
  P  P9  1  0.589  0.907  0.750  1.0
  P  P10  1  0.919  0.408  0.750  1.0
  P  P11  1  0.081  0.592  0.250  1.0
  O  O12  1  0.710  0.045  0.750  1.0
  O  O13  1  0.290  0.955  0.250  1.0
  O  O14  1  0.733  0.097  0.250  1.0
  O  O15  1  0.267  0.902  0.750  1.0
  O  O16  1  0.242  0.405  0.750  1.0
  O  O17  1  0.758  0.595  0.250  1.0
  O  O18  1  0.206  0.456  0.250  1.0
  O  O19  1  0.794  0.545  0.750  1.0
  O  O20  1  0.274  0.162  0.047  1.0
  O  O21  1  0.274  0.162  0.453  1.0
  O  O22  1  0.726  0.838  0.547  1.0
  O  O23  1  0.726  0.838  0.953  1.0
  O  O24  1  0.787  0.337  0.547  1.0
  O  O25  1  0.787  0.337  0.953  1.0
  O  O26  1  0.213  0.663  0.047  1.0
  O  O27  1  0.213  0.663  0.453  1.0
[/CIF]
.