The material described by LiMnF6 crystallizes in the triclinic P-1 space group. 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 six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. 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 six equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.820
_cell_length_b   5.130
_cell_length_c   4.826
_cell_angle_alpha   118.022
_cell_angle_beta   60.123
_cell_angle_gamma   118.035
_symmetry_Int_Tables_number   1
_cell_volume   86.878
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.230  0.763  0.633  1.0
  F  F3  1  0.367  0.237  0.101  1.0
  F  F4  1  0.100  0.237  0.769  1.0
  F  F5  1  0.900  0.763  0.231  1.0
  F  F6  1  0.633  0.763  0.899  1.0
  F  F7  1  0.770  0.237  0.367  1.0
[/CIF]
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The material described by LiMnF6 crystallizes in the triclinic P-1 space group. 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 six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. 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 six equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.820
_cell_length_b   5.130
_cell_length_c   4.826
_cell_angle_alpha   118.022
_cell_angle_beta   60.123
_cell_angle_gamma   118.035
_symmetry_Int_Tables_number   1
_cell_volume   86.878
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.230  0.763  0.633  1.0
  F  F3  1  0.367  0.237  0.101  1.0
  F  F4  1  0.100  0.237  0.769  1.0
  F  F5  1  0.900  0.763  0.231  1.0
  F  F6  1  0.633  0.763  0.899  1.0
  F  F7  1  0.770  0.237  0.367  1.0
[/CIF]
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