The structure described by LiMnF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(2), one F(3), and four equivalent F(1) atoms to form LiF6 octahedra that share corners with eight equivalent Mn(1)F6 octahedra and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. 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 eight equivalent Li(1)F6 octahedra and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.687
_cell_length_b   4.687
_cell_length_c   6.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.714
_symmetry_Int_Tables_number   1
_cell_volume   138.120
_cell_formula_units_Z   2
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  0.290  0.790  1.000  1.0
  F  F1  1  0.710  0.210  1.000  1.0
  F  F2  1  0.193  0.307  0.750  1.0
  F  F3  1  0.816  0.684  0.750  1.0
  F  F4  1  0.710  0.210  0.500  1.0
  F  F5  1  0.290  0.790  0.500  1.0
  F  F6  1  0.807  0.693  0.250  1.0
  F  F7  1  0.184  0.316  0.250  1.0
  Li  Li8  1  0.481  0.019  0.750  1.0
  Li  Li9  1  0.519  0.981  0.250  1.0
  Mn  Mn10  1  0.000  0.500  0.000  1.0
  Mn  Mn11  1  0.000  0.500  0.500  1.0
[/CIF]
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The structure described by LiMnF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(2), one F(3), and four equivalent F(1) atoms to form LiF6 octahedra that share corners with eight equivalent Mn(1)F6 octahedra and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. 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 eight equivalent Li(1)F6 octahedra and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.687
_cell_length_b   4.687
_cell_length_c   6.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.714
_symmetry_Int_Tables_number   1
_cell_volume   138.120
_cell_formula_units_Z   2
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  0.290  0.790  1.000  1.0
  F  F1  1  0.710  0.210  1.000  1.0
  F  F2  1  0.193  0.307  0.750  1.0
  F  F3  1  0.816  0.684  0.750  1.0
  F  F4  1  0.710  0.210  0.500  1.0
  F  F5  1  0.290  0.790  0.500  1.0
  F  F6  1  0.807  0.693  0.250  1.0
  F  F7  1  0.184  0.316  0.250  1.0
  Li  Li8  1  0.481  0.019  0.750  1.0
  Li  Li9  1  0.519  0.981  0.250  1.0
  Mn  Mn10  1  0.000  0.500  0.000  1.0
  Mn  Mn11  1  0.000  0.500  0.500  1.0
[/CIF]
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