The material described by LiMnF4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) 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 49-56°. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) 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 49-56°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   4.483
_cell_length_c   5.209
_cell_angle_alpha   86.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.175
_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
  Li  Li0  1  0.353  0.500  0.750  1.0
  Li  Li1  1  0.647  0.500  0.250  1.0
  Mn  Mn2  1  0.842  0.000  0.750  1.0
  Mn  Mn3  1  0.158  0.000  0.250  1.0
  F  F4  1  0.098  0.767  0.905  1.0
  F  F5  1  0.902  0.767  0.405  1.0
  F  F6  1  0.615  0.745  0.904  1.0
  F  F7  1  0.385  0.745  0.404  1.0
  F  F8  1  0.615  0.255  0.596  1.0
  F  F9  1  0.385  0.255  0.096  1.0
  F  F10  1  0.098  0.233  0.595  1.0
  F  F11  1  0.902  0.233  0.095  1.0
[/CIF]
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The material described by LiMnF4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) 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 49-56°. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) 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 49-56°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   4.483
_cell_length_c   5.209
_cell_angle_alpha   86.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.175
_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
  Li  Li0  1  0.353  0.500  0.750  1.0
  Li  Li1  1  0.647  0.500  0.250  1.0
  Mn  Mn2  1  0.842  0.000  0.750  1.0
  Mn  Mn3  1  0.158  0.000  0.250  1.0
  F  F4  1  0.098  0.767  0.905  1.0
  F  F5  1  0.902  0.767  0.405  1.0
  F  F6  1  0.615  0.745  0.904  1.0
  F  F7  1  0.385  0.745  0.404  1.0
  F  F8  1  0.615  0.255  0.596  1.0
  F  F9  1  0.385  0.255  0.096  1.0
  F  F10  1  0.098  0.233  0.595  1.0
  F  F11  1  0.902  0.233  0.095  1.0
[/CIF]
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