The crystal structure described by Li2GeF6 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 two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Ge(2)F6 octahedra, corners with six equivalent Li(2)F6 octahedra, and edges with two equivalent Ge(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Ge(1)F6 octahedra, corners with six equivalent Li(1)F6 octahedra, and  an edgeedge with one Ge(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to three equivalent F(2) and three equivalent F(3) atoms to form GeF6 octahedra that share corners with six equivalent Li(2)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Ge site, Ge(2) is bonded to six equivalent F(1) atoms to form GeF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Ge(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Ge(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Li2GeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.333
_cell_length_b   8.333
_cell_length_c   4.536
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   272.775
_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  0.700  0.000  0.500  1.0
  Li  Li1  1  0.635  0.635  1.000  1.0
  Li  Li2  1  1.000  0.365  1.000  1.0
  Li  Li3  1  0.365  1.000  0.000  1.0
  Li  Li4  1  0.000  0.700  0.500  1.0
  Li  Li5  1  0.300  0.300  0.500  1.0
  Ge  Ge6  1  0.667  0.333  0.510  1.0
  Ge  Ge7  1  0.333  0.667  0.490  1.0
  Ge  Ge8  1  1.000  1.000  1.000  1.0
  F  F9  1  0.097  0.207  0.223  1.0
  F  F10  1  0.110  0.903  0.223  1.0
  F  F11  1  0.793  0.890  0.223  1.0
  F  F12  1  0.460  0.222  0.286  1.0
  F  F13  1  0.778  0.237  0.286  1.0
  F  F14  1  0.763  0.540  0.286  1.0
  F  F15  1  0.237  0.778  0.714  1.0
  F  F16  1  0.540  0.763  0.714  1.0
  F  F17  1  0.222  0.460  0.714  1.0
  F  F18  1  0.422  0.549  0.265  1.0
  F  F19  1  0.451  0.873  0.265  1.0
  F  F20  1  0.127  0.578  0.265  1.0
  F  F21  1  0.873  0.451  0.735  1.0
  F  F22  1  0.578  0.127  0.735  1.0
  F  F23  1  0.549  0.422  0.735  1.0
  F  F24  1  0.207  0.097  0.777  1.0
  F  F25  1  0.903  0.110  0.777  1.0
  F  F26  1  0.890  0.793  0.777  1.0
[/CIF]
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The crystal structure described by Li2GeF6 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 two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Ge(2)F6 octahedra, corners with six equivalent Li(2)F6 octahedra, and edges with two equivalent Ge(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Ge(1)F6 octahedra, corners with six equivalent Li(1)F6 octahedra, and  an edgeedge with one Ge(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to three equivalent F(2) and three equivalent F(3) atoms to form GeF6 octahedra that share corners with six equivalent Li(2)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Ge site, Ge(2) is bonded to six equivalent F(1) atoms to form GeF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Ge(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Ge(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Li2GeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.333
_cell_length_b   8.333
_cell_length_c   4.536
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   272.775
_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  0.700  0.000  0.500  1.0
  Li  Li1  1  0.635  0.635  1.000  1.0
  Li  Li2  1  1.000  0.365  1.000  1.0
  Li  Li3  1  0.365  1.000  0.000  1.0
  Li  Li4  1  0.000  0.700  0.500  1.0
  Li  Li5  1  0.300  0.300  0.500  1.0
  Ge  Ge6  1  0.667  0.333  0.510  1.0
  Ge  Ge7  1  0.333  0.667  0.490  1.0
  Ge  Ge8  1  1.000  1.000  1.000  1.0
  F  F9  1  0.097  0.207  0.223  1.0
  F  F10  1  0.110  0.903  0.223  1.0
  F  F11  1  0.793  0.890  0.223  1.0
  F  F12  1  0.460  0.222  0.286  1.0
  F  F13  1  0.778  0.237  0.286  1.0
  F  F14  1  0.763  0.540  0.286  1.0
  F  F15  1  0.237  0.778  0.714  1.0
  F  F16  1  0.540  0.763  0.714  1.0
  F  F17  1  0.222  0.460  0.714  1.0
  F  F18  1  0.422  0.549  0.265  1.0
  F  F19  1  0.451  0.873  0.265  1.0
  F  F20  1  0.127  0.578  0.265  1.0
  F  F21  1  0.873  0.451  0.735  1.0
  F  F22  1  0.578  0.127  0.735  1.0
  F  F23  1  0.549  0.422  0.735  1.0
  F  F24  1  0.207  0.097  0.777  1.0
  F  F25  1  0.903  0.110  0.777  1.0
  F  F26  1  0.890  0.793  0.777  1.0
[/CIF]
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