The crystal structure described by Li2MnF4 crystallizes in the tetragonal P-42m space group. Li(1) is bonded to four equivalent F(1) atoms to form LiF4 tetrahedra that share corners with four equivalent Li(1)F4 tetrahedra and corners with four equivalent Mn(1)F4 tetrahedra. Mn(1) is bonded to four equivalent F(1) atoms to form distorted MnF4 tetrahedra that share corners with eight equivalent Li(1)F4 tetrahedra. F(1) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.408
_cell_length_b   4.408
_cell_length_c   5.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.259
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.237  0.763  0.721  1.0
  F  F4  1  0.237  0.237  0.279  1.0
  F  F5  1  0.763  0.237  0.721  1.0
  F  F6  1  0.763  0.763  0.279  1.0
[/CIF]
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The crystal structure described by Li2MnF4 crystallizes in the tetragonal P-42m space group. Li(1) is bonded to four equivalent F(1) atoms to form LiF4 tetrahedra that share corners with four equivalent Li(1)F4 tetrahedra and corners with four equivalent Mn(1)F4 tetrahedra. Mn(1) is bonded to four equivalent F(1) atoms to form distorted MnF4 tetrahedra that share corners with eight equivalent Li(1)F4 tetrahedra. F(1) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.408
_cell_length_b   4.408
_cell_length_c   5.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.259
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.237  0.763  0.721  1.0
  F  F4  1  0.237  0.237  0.279  1.0
  F  F5  1  0.763  0.237  0.721  1.0
  F  F6  1  0.763  0.763  0.279  1.0
[/CIF]
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