The structure described by NaV2O4F crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), two equivalent O(2), and one F(1) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one V(2)O5 trigonal bipyramid, corners with two equivalent V(1)O4F trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(1)O4F trigonal bipyramid, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with two equivalent V(1)O4F trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Na(1), one V(1), and one V(2) atom to form distorted corner-sharing ONa2V2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(2) atom. F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV2O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.814
_cell_length_b   5.018
_cell_length_c   11.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.848
_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
  Na  Na0  1  0.500  0.640  0.995  1.0
  Na  Na1  1  0.000  0.360  0.495  1.0
  V  V2  1  0.500  0.919  0.653  1.0
  V  V3  1  0.000  0.081  0.153  1.0
  V  V4  1  0.000  0.110  0.847  1.0
  V  V5  1  0.500  0.890  0.347  1.0
  O  O6  1  0.500  0.006  0.821  1.0
  O  O7  1  0.000  0.994  0.321  1.0
  O  O8  1  0.000  0.984  0.680  1.0
  O  O9  1  0.500  0.016  0.180  1.0
  O  O10  1  0.500  0.047  0.507  1.0
  O  O11  1  0.000  0.953  0.007  1.0
  O  O12  1  0.000  0.438  0.868  1.0
  O  O13  1  0.500  0.562  0.368  1.0
  F  F14  1  0.500  0.551  0.629  1.0
  F  F15  1  0.000  0.449  0.129  1.0
[/CIF]
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The structure described by NaV2O4F crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), two equivalent O(2), and one F(1) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one V(2)O5 trigonal bipyramid, corners with two equivalent V(1)O4F trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(1)O4F trigonal bipyramid, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with two equivalent V(1)O4F trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Na(1), one V(1), and one V(2) atom to form distorted corner-sharing ONa2V2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(2) atom. F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV2O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.814
_cell_length_b   5.018
_cell_length_c   11.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.848
_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
  Na  Na0  1  0.500  0.640  0.995  1.0
  Na  Na1  1  0.000  0.360  0.495  1.0
  V  V2  1  0.500  0.919  0.653  1.0
  V  V3  1  0.000  0.081  0.153  1.0
  V  V4  1  0.000  0.110  0.847  1.0
  V  V5  1  0.500  0.890  0.347  1.0
  O  O6  1  0.500  0.006  0.821  1.0
  O  O7  1  0.000  0.994  0.321  1.0
  O  O8  1  0.000  0.984  0.680  1.0
  O  O9  1  0.500  0.016  0.180  1.0
  O  O10  1  0.500  0.047  0.507  1.0
  O  O11  1  0.000  0.953  0.007  1.0
  O  O12  1  0.000  0.438  0.868  1.0
  O  O13  1  0.500  0.562  0.368  1.0
  F  F14  1  0.500  0.551  0.629  1.0
  F  F15  1  0.000  0.449  0.129  1.0
[/CIF]
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