The crystal structure described by LiVF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with eight equivalent V(1)F6 octahedra and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with eight equivalent Li(1)F6 octahedra and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.060
_cell_length_b   4.575
_cell_length_c   4.575
_cell_angle_alpha   91.684
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   64.033
_cell_formula_units_Z   1
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
  F  F0  1  0.500  0.193  0.807  1.0
  F  F1  1  0.500  0.807  0.193  1.0
  F  F2  1  1.000  0.704  0.704  1.0
  F  F3  1  0.000  0.296  0.296  1.0
  Li  Li4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.000  0.000  1.000  1.0
[/CIF]
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The crystal structure described by LiVF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with eight equivalent V(1)F6 octahedra and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with eight equivalent Li(1)F6 octahedra and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.060
_cell_length_b   4.575
_cell_length_c   4.575
_cell_angle_alpha   91.684
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   64.033
_cell_formula_units_Z   1
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
  F  F0  1  0.500  0.193  0.807  1.0
  F  F1  1  0.500  0.807  0.193  1.0
  F  F2  1  1.000  0.704  0.704  1.0
  F  F3  1  0.000  0.296  0.296  1.0
  Li  Li4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.000  0.000  1.000  1.0
[/CIF]
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