The material structure described by LiVMnF6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent F(3) atoms to form LiF6 octahedra that share corners with six equivalent V(1)F6 octahedra and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Li site, Li(2) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra and edges with three equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with four equivalent Li(2)F6 octahedra, corners with six equivalent V(1)F6 octahedra, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMnVF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.609
_cell_length_b   8.653
_cell_length_c   8.652
_cell_angle_alpha   120.001
_cell_angle_beta   89.996
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   298.852
_cell_formula_units_Z   3
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  1.000  0.000  0.000  1.0
  Li  Li1  1  0.490  0.333  0.667  1.0
  Li  Li2  1  0.510  0.667  0.333  1.0
  Mn  Mn3  1  0.000  0.646  0.646  1.0
  Mn  Mn4  1  1.000  0.354  0.000  1.0
  Mn  Mn5  1  0.000  1.000  0.354  1.0
  V  V6  1  0.500  0.314  0.314  1.0
  V  V7  1  0.500  0.686  1.000  1.0
  V  V8  1  0.500  0.000  0.686  1.0
  F  F9  1  0.272  0.891  0.469  1.0
  F  F10  1  0.272  0.532  0.422  1.0
  F  F11  1  0.272  0.578  0.110  1.0
  F  F12  1  0.728  0.109  0.578  1.0
  F  F13  1  0.728  0.422  0.531  1.0
  F  F14  1  0.728  0.469  0.890  1.0
  F  F15  1  0.273  0.224  0.783  1.0
  F  F16  1  0.273  0.217  0.441  1.0
  F  F17  1  0.273  0.558  0.776  1.0
  F  F18  1  0.727  0.776  0.558  1.0
  F  F19  1  0.727  0.442  0.217  1.0
  F  F20  1  0.727  0.783  0.224  1.0
  F  F21  1  0.243  0.892  0.780  1.0
  F  F22  1  0.243  0.220  0.112  1.0
  F  F23  1  0.243  0.888  0.108  1.0
  F  F24  1  0.757  0.108  0.888  1.0
  F  F25  1  0.757  0.112  0.220  1.0
  F  F26  1  0.757  0.780  0.892  1.0
[/CIF]
.
The material structure described by LiVMnF6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent F(3) atoms to form LiF6 octahedra that share corners with six equivalent V(1)F6 octahedra and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Li site, Li(2) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra and edges with three equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with four equivalent Li(2)F6 octahedra, corners with six equivalent V(1)F6 octahedra, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMnVF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.609
_cell_length_b   8.653
_cell_length_c   8.652
_cell_angle_alpha   120.001
_cell_angle_beta   89.996
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   298.852
_cell_formula_units_Z   3
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  1.000  0.000  0.000  1.0
  Li  Li1  1  0.490  0.333  0.667  1.0
  Li  Li2  1  0.510  0.667  0.333  1.0
  Mn  Mn3  1  0.000  0.646  0.646  1.0
  Mn  Mn4  1  1.000  0.354  0.000  1.0
  Mn  Mn5  1  0.000  1.000  0.354  1.0
  V  V6  1  0.500  0.314  0.314  1.0
  V  V7  1  0.500  0.686  1.000  1.0
  V  V8  1  0.500  0.000  0.686  1.0
  F  F9  1  0.272  0.891  0.469  1.0
  F  F10  1  0.272  0.532  0.422  1.0
  F  F11  1  0.272  0.578  0.110  1.0
  F  F12  1  0.728  0.109  0.578  1.0
  F  F13  1  0.728  0.422  0.531  1.0
  F  F14  1  0.728  0.469  0.890  1.0
  F  F15  1  0.273  0.224  0.783  1.0
  F  F16  1  0.273  0.217  0.441  1.0
  F  F17  1  0.273  0.558  0.776  1.0
  F  F18  1  0.727  0.776  0.558  1.0
  F  F19  1  0.727  0.442  0.217  1.0
  F  F20  1  0.727  0.783  0.224  1.0
  F  F21  1  0.243  0.892  0.780  1.0
  F  F22  1  0.243  0.220  0.112  1.0
  F  F23  1  0.243  0.888  0.108  1.0
  F  F24  1  0.757  0.108  0.888  1.0
  F  F25  1  0.757  0.112  0.220  1.0
  F  F26  1  0.757  0.780  0.892  1.0
[/CIF]
.