The structure described by Li4VO4F is beta beryllia-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(4)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(3)O3F tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(1)O3F tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra, and corners with three equivalent Li(4)O3F tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), and one V(1) atom to form OLi3V tetrahedra that share  a cornercorner with one O(3)Li3V tetrahedra, corners with three equivalent O(2)Li3V tetrahedra, corners with three equivalent O(4)Li3V tetrahedra, corners with three equivalent F(1)Li4 tetrahedra, and  an edgeedge with one O(3)Li3V tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), and one V(1) atom to form distorted OLi3V tetrahedra that share  a cornercorner with one O(4)Li3V tetrahedra, corners with three equivalent O(1)Li3V tetrahedra, corners with three equivalent O(3)Li3V tetrahedra, corners with three equivalent F(1)Li4 tetrahedra, and  an edgeedge with one O(4)Li3V tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one V(1) atom to form distorted OLi3V tetrahedra that share  a cornercorner with one O(1)Li3V tetrahedra, corners with three equivalent O(2)Li3V tetrahedra, corners with three equivalent O(4)Li3V tetrahedra, corners with three equivalent F(1)Li4 tetrahedra, and  an edgeedge with one O(1)Li3V tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and one V(1) atom to form OLi3V tetrahedra that share  a cornercorner with one O(2)Li3V tetrahedra, corners with three equivalent O(1)Li3V tetrahedra, corners with three equivalent O(3)Li3V tetrahedra, corners with three equivalent F(1)Li4 tetrahedra, and  an edgeedge with one O(2)Li3V tetrahedra. F(1) is bonded to one Li(1), one Li(2), one Li(3), and one Li(4) atom to form FLi4 tetrahedra that share corners with three equivalent O(1)Li3V tetrahedra, corners with three equivalent O(2)Li3V tetrahedra, corners with three equivalent O(3)Li3V tetrahedra, and corners with three equivalent O(4)Li3V tetrahedra. is represented by the CIF file [CIF]
data_Li4VO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   5.262
_cell_length_c   8.971
_cell_angle_alpha   89.596
_cell_angle_beta   89.596
_cell_angle_gamma   109.855
_symmetry_Int_Tables_number   1
_cell_volume   233.650
_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  0.124  0.362  0.578  1.0
  Li  Li1  1  0.887  0.255  0.251  1.0
  Li  Li2  1  0.156  0.532  0.958  1.0
  Li  Li3  1  0.532  0.156  0.458  1.0
  Li  Li4  1  0.362  0.124  0.078  1.0
  Li  Li5  1  0.742  0.943  0.965  1.0
  Li  Li6  1  0.255  0.887  0.751  1.0
  Li  Li7  1  0.943  0.742  0.465  1.0
  V  V8  1  0.641  0.461  0.772  1.0
  V  V9  1  0.461  0.641  0.272  1.0
  O  O10  1  0.701  0.901  0.368  1.0
  O  O11  1  0.416  0.766  0.098  1.0
  O  O12  1  0.358  0.560  0.754  1.0
  O  O13  1  0.157  0.537  0.372  1.0
  O  O14  1  0.766  0.416  0.598  1.0
  O  O15  1  0.560  0.358  0.254  1.0
  O  O16  1  0.901  0.701  0.868  1.0
  O  O17  1  0.537  0.157  0.872  1.0
  F  F18  1  0.030  0.198  0.066  1.0
  F  F19  1  0.198  0.030  0.566  1.0
[/CIF]
.
The structure described by Li4VO4F is beta beryllia-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(4)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(4)O3F tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(3)O3F tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(4)O3F tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(1)O3F tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra, and corners with three equivalent Li(4)O3F tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), and one V(1) atom to form OLi3V tetrahedra that share  a cornercorner with one O(3)Li3V tetrahedra, corners with three equivalent O(2)Li3V tetrahedra, corners with three equivalent O(4)Li3V tetrahedra, corners with three equivalent F(1)Li4 tetrahedra, and  an edgeedge with one O(3)Li3V tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), and one V(1) atom to form distorted OLi3V tetrahedra that share  a cornercorner with one O(4)Li3V tetrahedra, corners with three equivalent O(1)Li3V tetrahedra, corners with three equivalent O(3)Li3V tetrahedra, corners with three equivalent F(1)Li4 tetrahedra, and  an edgeedge with one O(4)Li3V tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one V(1) atom to form distorted OLi3V tetrahedra that share  a cornercorner with one O(1)Li3V tetrahedra, corners with three equivalent O(2)Li3V tetrahedra, corners with three equivalent O(4)Li3V tetrahedra, corners with three equivalent F(1)Li4 tetrahedra, and  an edgeedge with one O(1)Li3V tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and one V(1) atom to form OLi3V tetrahedra that share  a cornercorner with one O(2)Li3V tetrahedra, corners with three equivalent O(1)Li3V tetrahedra, corners with three equivalent O(3)Li3V tetrahedra, corners with three equivalent F(1)Li4 tetrahedra, and  an edgeedge with one O(2)Li3V tetrahedra. F(1) is bonded to one Li(1), one Li(2), one Li(3), and one Li(4) atom to form FLi4 tetrahedra that share corners with three equivalent O(1)Li3V tetrahedra, corners with three equivalent O(2)Li3V tetrahedra, corners with three equivalent O(3)Li3V tetrahedra, and corners with three equivalent O(4)Li3V tetrahedra. is represented by the CIF file [CIF]
data_Li4VO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   5.262
_cell_length_c   8.971
_cell_angle_alpha   89.596
_cell_angle_beta   89.596
_cell_angle_gamma   109.855
_symmetry_Int_Tables_number   1
_cell_volume   233.650
_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  0.124  0.362  0.578  1.0
  Li  Li1  1  0.887  0.255  0.251  1.0
  Li  Li2  1  0.156  0.532  0.958  1.0
  Li  Li3  1  0.532  0.156  0.458  1.0
  Li  Li4  1  0.362  0.124  0.078  1.0
  Li  Li5  1  0.742  0.943  0.965  1.0
  Li  Li6  1  0.255  0.887  0.751  1.0
  Li  Li7  1  0.943  0.742  0.465  1.0
  V  V8  1  0.641  0.461  0.772  1.0
  V  V9  1  0.461  0.641  0.272  1.0
  O  O10  1  0.701  0.901  0.368  1.0
  O  O11  1  0.416  0.766  0.098  1.0
  O  O12  1  0.358  0.560  0.754  1.0
  O  O13  1  0.157  0.537  0.372  1.0
  O  O14  1  0.766  0.416  0.598  1.0
  O  O15  1  0.560  0.358  0.254  1.0
  O  O16  1  0.901  0.701  0.868  1.0
  O  O17  1  0.537  0.157  0.872  1.0
  F  F18  1  0.030  0.198  0.066  1.0
  F  F19  1  0.198  0.030  0.566  1.0
[/CIF]
.