The structure described by LiVF4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. V(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.932
_cell_length_b   7.243
_cell_length_c   7.350
_cell_angle_alpha   77.832
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.645
_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  0.257  0.338  0.353  1.0
  Li  Li1  1  0.243  0.838  0.353  1.0
  Li  Li2  1  0.757  0.162  0.647  1.0
  Li  Li3  1  0.743  0.662  0.647  1.0
  V  V4  1  0.746  0.181  0.186  1.0
  V  V5  1  0.754  0.681  0.186  1.0
  V  V6  1  0.246  0.319  0.814  1.0
  V  V7  1  0.254  0.819  0.814  1.0
  F  F8  1  0.073  0.304  0.057  1.0
  F  F9  1  0.427  0.804  0.057  1.0
  F  F10  1  0.581  0.432  0.192  1.0
  F  F11  1  0.428  0.080  0.306  1.0
  F  F12  1  0.919  0.932  0.192  1.0
  F  F13  1  0.072  0.580  0.306  1.0
  F  F14  1  0.925  0.195  0.410  1.0
  F  F15  1  0.575  0.695  0.410  1.0
  F  F16  1  0.425  0.305  0.590  1.0
  F  F17  1  0.075  0.805  0.590  1.0
  F  F18  1  0.928  0.420  0.694  1.0
  F  F19  1  0.081  0.068  0.808  1.0
  F  F20  1  0.572  0.920  0.694  1.0
  F  F21  1  0.419  0.568  0.808  1.0
  F  F22  1  0.573  0.196  0.943  1.0
  F  F23  1  0.927  0.696  0.943  1.0
[/CIF]
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The structure described by LiVF4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. V(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.932
_cell_length_b   7.243
_cell_length_c   7.350
_cell_angle_alpha   77.832
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.645
_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  0.257  0.338  0.353  1.0
  Li  Li1  1  0.243  0.838  0.353  1.0
  Li  Li2  1  0.757  0.162  0.647  1.0
  Li  Li3  1  0.743  0.662  0.647  1.0
  V  V4  1  0.746  0.181  0.186  1.0
  V  V5  1  0.754  0.681  0.186  1.0
  V  V6  1  0.246  0.319  0.814  1.0
  V  V7  1  0.254  0.819  0.814  1.0
  F  F8  1  0.073  0.304  0.057  1.0
  F  F9  1  0.427  0.804  0.057  1.0
  F  F10  1  0.581  0.432  0.192  1.0
  F  F11  1  0.428  0.080  0.306  1.0
  F  F12  1  0.919  0.932  0.192  1.0
  F  F13  1  0.072  0.580  0.306  1.0
  F  F14  1  0.925  0.195  0.410  1.0
  F  F15  1  0.575  0.695  0.410  1.0
  F  F16  1  0.425  0.305  0.590  1.0
  F  F17  1  0.075  0.805  0.590  1.0
  F  F18  1  0.928  0.420  0.694  1.0
  F  F19  1  0.081  0.068  0.808  1.0
  F  F20  1  0.572  0.920  0.694  1.0
  F  F21  1  0.419  0.568  0.808  1.0
  F  F22  1  0.573  0.196  0.943  1.0
  F  F23  1  0.927  0.696  0.943  1.0
[/CIF]
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